3-chloranyl-N-[2-[[(1S)-2-(dimethylamino)-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[[(1S)-2-(dimethylamino)-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[[(1S)-2-(dimethylamino)-1-phenyl-ethyl]amino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[[(1S)-2-(dimethylamino)-1-phenyl-ethyl]amino]-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)C[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-25(2)13-16(14-8-4-3-5-9-14)24-18(26)12-23-21(27)20-19(22)15-10-6-7-11-17(15)28-20/h3-11,16H,12-13H2,1-2H3,(H,23,27)(H,24,26)/t16-/m1/s1