N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[[4-(dimethylamino)benzyl]carbamoyl]-3-(methylthio)propyl]-4-methoxy-benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-25(2)18-9-5-16(6-10-18)15-23-22(27)20(13-14-29-4)24-21(26)17-7-11-19(28-3)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,23,27)(H,24,26)/t20-/m0/s1