N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

InChI

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