4-(5-chloranyl-2-methyl-phenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S/c1-13-3-4-14(20)11-17(13)22-7-9-23(10-8-22)19(28)21-16-6-5-15(24(25)26)12-18(16)27-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,28)