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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-2-4-16(23)19-13-7-9-14(10-8-13)20-18(27)21-17(24)12-5-3-6-15(11-12)22(25)26/h3,5-11H,2,4H2,1H3,(H,19,23)(H2,20,21,24,27)