N-[(2S)-1-[[(3S)-1-[[3-chloranyl-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(3S)-1-[[3-chloranyl-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[(3S)-1-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]methyl]pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(3S)-1-[[3-chloro-4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]methyl]-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[(3S)-1-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[(3S)-1-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxy-benzyl]pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C31H39ClN4O3S MolecularWeight: 583.18436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCN(C1)CC2=CC(=C(C=C2)OC3CCN(C3)C)Cl)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCN(C1)CC2=CC(=C(C=C2)OC3CCN(C3)C)Cl)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H39ClN4O3S/c1-20(2)14-26(34-31(38)29-16-22-6-4-5-7-28(22)40-29)30(37)33-23-10-13-36(18-23)17-21-8-9-27(25(32)15-21)39-24-11-12-35(3)19-24/h4-9,15-16,20,23-24,26H,10-14,17-19H2,1-3H3,(H,33,37)(H,34,38)/t23-,24?,26-/m0/s1