2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(diphenylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(diphenylmethyl)-N-methyl-ethanamide Openeye Name: N-benzhydryl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(diphenylmethyl)-N-methylacetamide IUPAC Name: N-benzhydryl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylacetamide Traditional Name: N-benzhydryl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-acetamide Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25NO3S/c1-26(25(19-9-4-2-5-10-19)20-11-6-3-7-12-20)24(27)18-30-21-13-14-22-23(17-21)29-16-8-15-28-22/h2-7,9-14,17,25H,8,15-16,18H2,1H3