N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-2-4-16(24)20-12-7-8-14(19)15(10-12)21-18(28)22-17(25)11-5-3-6-13(9-11)23(26)27/h3,5-10H,2,4H2,1H3,(H,20,24)(H2,21,22,25,28)