N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,4,5-trimethoxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,4,5-trimethoxy-benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S/c1-33-23-18-22(19-24(34-2)26(23)35-3)27(32)29-28(36)31-16-14-30(15-17-31)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,25H,14-17H2,1-3H3,(H,29,32,36)