2-[(2,4-dimethylphenyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(2,4-dimethylphenyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(2,4-dimethylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(2,4-dimethylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(2,4-dimethylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(2,4-dimethylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H15N5O3S2/c1-10-3-5-13(11(2)7-10)20-18-22-15(9-28-18)17(25)23-19-21-14-6-4-12(24(26)27)8-16(14)29-19/h3-9H,1-2H3,(H,20,22)(H,21,23,25)