1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H22N2O2S/c1-25-17-9-6-15(7-10-17)19-5-3-2-4-12-23(19)21(24)16-8-11-18-20(13-16)26-14-22-18/h6-11,13-14,19H,2-5,12H2,1H3/t19-/m1/s1