methyl 4-[(Z)-[1-(2-methylpropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[1-(2-methylpropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-(1-isobutyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzoate CAS Name: 4-[(Z)-[1-(2-methylpropyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-(1-isobutyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CC(C)CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/NC1=S

InChI

InChI=1S/C16H18N2O3S/c1-10(2)9-18-14(19)13(17-16(18)22)8-11-4-6-12(7-5-11)15(20)21-3/h4-8,10H,9H2,1-3H3,(H,17,22)/b13-8-