4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S2/c1-2-3-5-17-8-10-20(11-9-17)31(28,29)24-14-12-23(13-15-24)21(30)22-18-6-4-7-19(16-18)25(26)27/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,22,30)