N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]valeramide Formula: C29H34N4O3S2 MolecularWeight: 550.73526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O3S2/c1-2-3-14-27(34)31-29(37)30-25-15-17-26(18-16-25)38(35,36)33-21-19-32(20-22-33)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,15-18,28H,2-3,14,19-22H2,1H3,(H2,30,31,34,37)