2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]acetamide Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25NO4S/c1-28-20-10-8-19(9-11-20)25(18-6-3-2-4-7-18)26-24(27)17-31-21-12-13-22-23(16-21)30-15-5-14-29-22/h2-4,6-13,16,25H,5,14-15,17H2,1H3,(H,26,27)/t25-/m1/s1