(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-naphthalen-2-yl-propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-naphthalen-2-yl-propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-naphthyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-naphthalenyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-naphthalen-2-ylpropanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-naphthyl)propionamide Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21NO3S/c1-15(27-19-9-10-20-21(14-19)26-12-4-11-25-20)22(24)23-18-8-7-16-5-2-3-6-17(16)13-18/h2-3,5-10,13-15H,4,11-12H2,1H3,(H,23,24)/t15-/m1/s1