2-chloranyl-N-[1-[(4-dimethylaminophenyl)methyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[(4-dimethylaminophenyl)methyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[(4-dimethylaminophenyl)methyl-methyl-carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[(4-dimethylaminophenyl)methyl-methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[(4-dimethylaminophenyl)methyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[[4-(dimethylamino)benzyl]-methyl-carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H28ClN3O2S/c1-25(2)17-11-9-16(10-12-17)15-26(3)22(28)20(13-14-29-4)24-21(27)18-7-5-6-8-19(18)23/h5-12,20H,13-15H2,1-4H3,(H,24,27)