2-chloranyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: 2-chloro-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S/c1-13-3-5-15(16(21)11-13)19(26)22-20(30)24-9-7-23(8-10-24)17-6-4-14(29-2)12-18(17)25(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,22,26,30)