N-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(3,4-dimethoxyanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(3,4-dimethoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(3,4-dimethoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(3,4-dimethoxyanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H23N3O4S/c1-30-20-10-9-16(13-21(20)31-2)26-23(28)19(27-24(29)22-8-5-11-32-22)12-15-14-25-18-7-4-3-6-17(15)18/h3-11,13-14,19,25H,12H2,1-2H3,(H,26,28)(H,27,29)/t19-/m0/s1