7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2O2S/c1-27-21-14-18(24-25-20-9-5-6-10-22(20)29-24)13-19-16-26(11-12-28-23(19)21)15-17-7-3-2-4-8-17/h2-10,13-14H,11-12,15-16H2,1H3