methyl 3-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(2-methylallyloxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(2-methylallyloxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(=C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-13(2)12-26-17-9-5-8-16(11-17)21-20(27)22-18(23)14-6-4-7-15(10-14)19(24)25-3/h4-11H,1,12H2,2-3H3,(H2,21,22,23,27)