methyl (NZ)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-N'-(2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl)carbamimidothioate

Systemtic Name: methyl (NZ)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-N'-(2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl)carbamimidothioate Openeye Name: (1Z)-3-(2-hydroxy-3-oxo-2,3-diphenyl-propyl)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)isothiourea CAS Name: (NZ)-N'-(2-hydroxy-3-oxo-2,3-diphenylpropyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)carbamimidothioic acid methyl ester IUPAC Name: methyl (NZ)-N'-(2-hydroxy-3-oxo-2,3-diphenylpropyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)carbamimidothioate Traditional Name: (1Z)-3-(2-hydroxy-3-keto-2,3-diphenyl-propyl)-2-methyl-1-(3-methyl-1,3-benzothiazol-2-ylidene)isothiourea Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=NCC(C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O)SC

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N\C(=NCC(C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O)SC

InChI

InChI=1S/C25H23N3O2S2/c1-28-20-15-9-10-16-21(20)32-24(28)27-23(31-2)26-17-25(30,19-13-7-4-8-14-19)22(29)18-11-5-3-6-12-18/h3-16,30H,17H2,1-2H3/b26-23?,27-24-