methyl 4-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-(diallylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-(diallylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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