N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-ethoxy-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-ethoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-ethoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-ethoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-ethoxy-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-2-32-24-15-9-14-23(20-24)26(31)28-27(33)30-18-16-29(17-19-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,20,25H,2,16-19H2,1H3,(H,28,31,33)