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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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