N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O4S/c26-21-10-5-11-22(30(32)33)23(21)28-12-14-29(15-13-28)25(35)27-24(31)19-8-4-9-20(16-19)34-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31,35)