N-[(2S)-1-[3-[(3-bromanylthiophen-2-yl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(3-bromanylthiophen-2-yl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(3-bromo-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(3-bromo-2-thiophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(3-bromothiophen-2-yl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(3-bromo-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C23H28BrN3O4S3 MolecularWeight: 586.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=C(C=CS1)Br)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=C(C=CS1)Br)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C23H28BrN3O4S3/c1-15(2)13-18(26-22(29)20-14-16-7-4-5-8-19(16)33-20)21(28)25-10-6-11-27(3)34(30,31)23-17(24)9-12-32-23/h4-5,7-9,12,14-15,18H,6,10-11,13H2,1-3H3,(H,25,28)(H,26,29)/t18-/m0/s1