4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzhydryl-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzhydryl-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-benzhydryl-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c31-26(24-19-32-22-13-7-8-14-23(22)33-24)29-15-17-30(18-16-29)27(34)28-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24-25H,15-19H2,(H,28,34)