N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-3-(methylthio)-1-(veratrylcarbamoyl)propyl]benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H26N2O4S/c1-26-18-10-9-15(13-19(18)27-2)14-22-21(25)17(11-12-28-3)23-20(24)16-7-5-4-6-8-16/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1