methyl 4-[[(4-dimethylaminophenyl)methyl-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(4-dimethylaminophenyl)methyl-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(4-dimethylaminophenyl)methyl-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(4-dimethylaminophenyl)methyl-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-dimethylaminophenyl)methyl-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[[4-(dimethylamino)benzyl]-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H25N3O2S/c1-18(2)14-9-7-13(8-10-14)12-19(3)16(22)17-11-5-6-15(20)21-4/h7-10H,5-6,11-12H2,1-4H3,(H,17,22)