N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-3-12(2)20-17(24)13-7-9-15(10-8-13)21-19(28)22-18(25)14-5-4-6-16(11-14)23(26)27/h4-12H,3H2,1-2H3,(H,20,24)(H2,21,22,25,28)