N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-hexoxy-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-hexoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-hexoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-hexoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-hexoxy-benzamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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