methyl 3-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-(diallylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-(diallylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N(CC=C)CC=C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N(CC=C)CC=C

InChI

InChI=1S/C16H18N2O3S/c1-4-9-18(10-5-2)16(22)17-14(19)12-7-6-8-13(11-12)15(20)21-3/h4-8,11H,1-2,9-10H2,3H3,(H,17,19,22)