3-azanylidene-N-(4-ethanoylphenyl)-N'-(2-methoxy-5-methyl-phenyl)-5-methyl-1,2-thiazole-2-carboximidamide

Systemtic Name: 3-azanylidene-N-(4-ethanoylphenyl)-N'-(2-methoxy-5-methyl-phenyl)-5-methyl-1,2-thiazole-2-carboximidamide Openeye Name: N-(4-acetylphenyl)-3-imino-N'-(2-methoxy-5-methyl-phenyl)-5-methyl-isothiazole-2-carboxamidine CAS Name: N-(4-acetylphenyl)-3-imino-N'-(2-methoxy-5-methylphenyl)-5-methyl-2-isothiazolecarboximidamide IUPAC Name: N-(4-acetylphenyl)-3-imino-N'-(2-methoxy-5-methylphenyl)-5-methyl-1,2-thiazole-2-carboximidamide Traditional Name: N-(4-acetylphenyl)-3-imino-N'-(2-methoxy-5-methyl-phenyl)-5-methyl-4-isothiazoline-2-carboxamidine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N=C(NC2=CC=C(C=C2)C(=O)C)N3C(=N)C=C(S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N=C(NC2=CC=C(C=C2)C(=O)C)N3C(=N)C=C(S3)C

InChI

InChI=1S/C21H22N4O2S/c1-13-5-10-19(27-4)18(11-13)24-21(25-20(22)12-14(2)28-25)23-17-8-6-16(7-9-17)15(3)26/h5-12,22H,1-4H3,(H,23,24)