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

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-propoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-propoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-propoxy-benzamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S/c1-2-20-33-25-15-9-14-24(21-25)27(32)29-28(34)31-18-16-30(17-19-31)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,21,26H,2,16-20H2,1H3,(H,29,32,34)