N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3CC3

InChI

InChI=1S/C19H17N5O6S/c1-10-2-5-13(8-16(10)21-17(25)11-3-4-11)20-19(31)22-18(26)12-6-14(23(27)28)9-15(7-12)24(29)30/h2,5-9,11H,3-4H2,1H3,(H,21,25)(H2,20,22,26,31)