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

Systemtic Name: N-butan-2-yl-2-[(3,5-dinitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]-N-sec-butyl-1,3-benzothiazole-6-carboxamide CAS Name: N-butan-2-yl-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-butan-2-yl-2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-N-sec-butyl-1,3-benzothiazole-6-carboxamide Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6S/c1-3-10(2)20-17(25)11-4-5-15-16(8-11)31-19(21-15)22-18(26)12-6-13(23(27)28)9-14(7-12)24(29)30/h4-10H,3H2,1-2H3,(H,20,25)(H,21,22,26)