4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O3S2/c1-14-2-4-15(5-3-14)13-24-22(31)26-10-8-25(9-11-26)21(28)20-19(23)17-7-6-16(27(29)30)12-18(17)32-20/h2-7,12H,8-11,13H2,1H3,(H,24,31)