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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O3S/c1-28-21-9-5-3-7-19(21)17-13-18-15-27(11-12-30-25(18)22(14-17)29-2)16-24-26-20-8-4-6-10-23(20)31-24/h3-10,13-14H,11-12,15-16H2,1-2H3