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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C24H25ClN4O3S2 MolecularWeight: 517.0633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S2/c1-3-15(2)16-4-6-17(7-5-16)26-24(33)28-12-10-27(11-13-28)23(30)22-21(25)19-9-8-18(29(31)32)14-20(19)34-22/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,33)