4-(4-ethanoylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[4-(2-ethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H34N4O3S2/c1-3-23-6-4-5-15-30(23)35(32,33)25-13-9-22(10-14-25)27-26(34)29-18-16-28(17-19-29)24-11-7-21(8-12-24)20(2)31/h7-14,23H,3-6,15-19H2,1-2H3,(H,27,34)