2-[(3,5-dinitrophenyl)carbonylamino]-N-phenyl-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-N-phenyl-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-N-phenyl-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-N-phenyl-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-N-phenyl-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-N-phenyl-1,3-benzothiazole-6-carboxamide Formula: C21H13N5O6S MolecularWeight: 463.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O6S/c27-19(22-14-4-2-1-3-5-14)12-6-7-17-18(10-12)33-21(23-17)24-20(28)13-8-15(25(29)30)11-16(9-13)26(31)32/h1-11H,(H,22,27)(H,23,24,28)