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

Systemtic Name: 2-[(3-methylphenyl)carbamoylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(m-tolylcarbamoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-[[(3-methylanilino)-oxomethyl]amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-[(3-methylphenyl)carbamoylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(m-tolylcarbamoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C19H14N6O4S2 MolecularWeight: 454.48226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N6O4S2/c1-10-3-2-4-11(7-10)20-17(27)24-18-22-14(9-30-18)16(26)23-19-21-13-6-5-12(25(28)29)8-15(13)31-19/h2-9H,1H3,(H,21,23,26)(H2,20,22,24,27)