2-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H27N3O2S/c1-16-6-5-7-18(12-16)22-20(25)14-27-15-21(26)24(4)13-17-8-10-19(11-9-17)23(2)3/h5-12H,13-15H2,1-4H3,(H,22,25)