N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-hexoxy-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-hexoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-hexoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-hexoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-4-hexoxy-benzamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H37N3O2S/c1-2-3-4-11-24-36-28-18-16-27(17-19-28)30(35)32-31(37)34-22-20-33(21-23-34)29(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,29H,2-4,11,20-24H2,1H3,(H,32,35,37)