N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-2-7-21(29)24-17-8-6-9-18(15-17)25-23(33)26-22(30)16-10-11-19(20(14-16)28(31)32)27-12-4-3-5-13-27/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,24,29)(H2,25,26,30,33)