[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-3-phenyl-isothiourea Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)NC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)NC#N)OC

InChI

InChI=1S/C18H17N3O3S/c1-23-16-9-8-13(10-17(16)24-2)15(22)11-25-18(20-12-19)21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21)