ethyl 4-[[C-(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-N-(4-ethylphenyl)carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[C-(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-N-(4-ethylphenyl)carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N-(4-ethylphenyl)-C-(3-imino-5-methyl-isothiazol-2-yl)carbonimidoyl]amino]benzoate CAS Name: 4-[[(4-ethylphenyl)imino-(3-imino-5-methyl-2-isothiazolyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N-(4-ethylphenyl)-C-(3-imino-5-methyl-1,2-thiazol-2-yl)carbonimidoyl]amino]benzoate Traditional Name: 4-[[N-(4-ethylphenyl)-C-(3-imino-5-methyl-4-isothiazolin-2-yl)carbonimidoyl]amino]benzoic acid ethyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C(NC2=CC=C(C=C2)C(=O)OCC)N3C(=N)C=C(S3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N=C(NC2=CC=C(C=C2)C(=O)OCC)N3C(=N)C=C(S3)C

InChI

InChI=1S/C22H24N4O2S/c1-4-16-6-10-18(11-7-16)24-22(26-20(23)14-15(3)29-26)25-19-12-8-17(9-13-19)21(27)28-5-2/h6-14,23H,4-5H2,1-3H3,(H,24,25)