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

Systemtic Name: N-[(3-chlorophenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3-chlorophenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3-chloroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chlorophenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chlorophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

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