2-methoxy-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol

Systemtic Name: 2-methoxy-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol Openeye Name: 2-methoxy-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol CAS Name: 2-methoxy-4-[4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol IUPAC Name: 2-methoxy-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol Traditional Name: 2-methoxy-4-(4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol Formula: C28H22N2O2S2 MolecularWeight: 482.61648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O2S2/c1-32-23-16-18(14-15-22(23)31)27-17-28(29-19-8-2-5-11-24(19)33-27)30-20-9-3-6-12-25(20)34-26-13-7-4-10-21(26)30/h2-16,27,31H,17H2,1H3