N-(3-chloranyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O2S/c1-13-16(19)3-2-4-17(13)20-18(26)22-11-9-21(10-12-22)14-5-7-15(8-6-14)23(24)25/h2-8H,9-12H2,1H3,(H,20,26)