N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S/c1-13-11-14(2)18(17(20)12-13)21-19(27)23-9-7-22(8-10-23)15-3-5-16(6-4-15)24(25)26/h3-6,11-12H,7-10H2,1-2H3,(H,21,27)