2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O3S/c1-26-17-12-10-16(11-13-17)19-8-3-2-6-14-24(19)21(25)15-28-22-23-18-7-4-5-9-20(18)27-22/h4-5,7,9-13,19H,2-3,6,8,14-15H2,1H3/t19-/m1/s1