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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O3S/c20-16-12-14(7-8-17(16)23-9-2-1-3-10-23)21-19(28)22-18(25)13-5-4-6-15(11-13)24(26)27/h4-8,11-12H,1-3,9-10H2,(H2,21,22,25,28)