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

Systemtic Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[2-(dimethylaminomethyl)benzyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2S/c1-25(2)16-19-12-8-7-11-18(19)15-23-22(27)20(13-14-28-3)24-21(26)17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1