dimethyl 2-[(phenylmethyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(phenylmethyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(benzylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(benzylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(benzylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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