[3-[(E)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [3-[(E)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-(1-methyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-(1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-(5-keto-1-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C18H13ClN2O3S MolecularWeight: 372.82542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)/NC1=S

InChI

InChI=1S/C18H13ClN2O3S/c1-21-16(22)15(20-18(21)25)10-11-3-2-4-14(9-11)24-17(23)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,20,25)/b15-10+