methyl (NZ)-N'-(4-methoxyphenyl)-N-[phenyl(phenylazanyl)methylidene]carbamimidothioate

Systemtic Name: methyl (NZ)-N'-(4-methoxyphenyl)-N-[phenyl(phenylazanyl)methylidene]carbamimidothioate Openeye Name: (1Z)-1-[anilino(phenyl)methylene]-3-(4-methoxyphenyl)-2-methyl-isothiourea CAS Name: (NZ)-N-[anilino(phenyl)methylidene]-N'-(4-methoxyphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl (NZ)-N-[anilino(phenyl)methylidene]-N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: (1Z)-1-[anilino(phenyl)methylene]-3-(4-methoxyphenyl)-2-methyl-isothiourea Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N=C(C2=CC=CC=C2)NC3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N=C(/N=C(/C2=CC=CC=C2)\NC3=CC=CC=C3)SC

InChI

InChI=1S/C22H21N3OS/c1-26-20-15-13-19(14-16-20)24-22(27-2)25-21(17-9-5-3-6-10-17)23-18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24,25)