N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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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-])NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-11-5-8-14(10-16(11)21-17(24)12-6-7-12)20-19(28)22-18(25)13-3-2-4-15(9-13)23(26)27/h2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H2,20,22,25,28)