N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3,5-dimethyl-benzamide

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3,5-dimethyl-benzamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethylbenzamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-3,5-dimethyl-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H21ClN4O3S/c1-13-9-14(2)11-15(10-13)19(26)22-20(29)24-7-5-23(6-8-24)17-4-3-16(21)12-18(17)25(27)28/h3-4,9-12H,5-8H2,1-2H3,(H,22,26,29)