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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/c1-2-3-4-16-5-7-17(8-6-16)26-24(33)28-13-11-27(12-14-28)23(30)22-21(25)19-10-9-18(29(31)32)15-20(19)34-22/h5-10,15H,2-4,11-14H2,1H3,(H,26,33)