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

Systemtic Name: methyl 4-[[C-(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-N-(4-ethylphenyl)carbonimidoyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-4-15-5-9-17(10-6-15)23-21(25-19(22)13-14(2)28-25)24-18-11-7-16(8-12-18)20(26)27-3/h5-13,22H,4H2,1-3H3,(H,23,24)