N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4S/c1-3-4-17(25)21-13-6-7-14(20)15(10-13)22-19(29)23-18(26)12-5-8-16(24(27)28)11(2)9-12/h5-10H,3-4H2,1-2H3,(H,21,25)(H2,22,23,26,29)