dimethyl 5-[(phenylmethyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(phenylmethyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(benzylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(benzylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(benzylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-23-16(21)13-8-14(17(22)24-2)10-15(9-13)20-18(25)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,20,25)