N-(2-chloranyl-5-nitro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

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