methyl 3-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-15-10-12-26(13-11-15)21(28)18-8-3-4-9-19(18)24-23(31)25-20(27)16-6-5-7-17(14-16)22(29)30-2/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,27,31)