10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine

Systemtic Name: 10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine Openeye Name: 10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine CAS Name: 10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine IUPAC Name: 10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine Traditional Name: 10-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenothiazine Formula: C28H22N2OS2 MolecularWeight: 466.61708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H22N2OS2/c1-31-20-16-14-19(15-17-20)27-18-28(29-21-8-2-5-11-24(21)32-27)30-22-9-3-6-12-25(22)33-26-13-7-4-10-23(26)30/h2-17,27H,18H2,1H3