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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3S/c1-27-16-5-2-14(3-6-16)13-21-19(28)23-10-8-22(9-11-23)17-7-4-15(20)12-18(17)24(25)26/h2-7,12H,8-11,13H2,1H3,(H,21,28)