N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-3-nitro-benzamide Openeye Name: N-[1-[(2-chlorophenyl)carbamothioyl]-4-piperidyl]-3-nitro-benzamide CAS Name: N-[1-[(2-chloroanilino)-sulfanylidenemethyl]-4-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-3-nitrobenzamide Traditional Name: N-[1-[(2-chlorophenyl)thiocarbamoyl]-4-piperidyl]-3-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H19ClN4O3S/c20-16-6-1-2-7-17(16)22-19(28)23-10-8-14(9-11-23)21-18(25)13-4-3-5-15(12-13)24(26)27/h1-7,12,14H,8-11H2,(H,21,25)(H,22,28)