N-(2-chloranyl-5-nitro-phenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-14-4-2-3-5-15(14)13-22-8-10-23(11-9-22)19(27)21-18-12-16(24(25)26)6-7-17(18)20/h2-7,12H,8-11,13H2,1H3,(H,21,27)