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

Systemtic Name: 2-methoxy-4-[4-phenothiazin-10-yl-3-(phenylazanylmethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Openeye Name: 4-[3-(anilinomethyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol CAS Name: 4-[3-(anilinomethyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxyphenol IUPAC Name: 4-[3-(anilinomethyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxyphenol Traditional Name: 4-[3-(anilinomethyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-methoxy-phenol Formula: C35H29N3O2S2 MolecularWeight: 587.75366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC=CC=C7)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC=CC=C7)O

InChI

InChI=1S/C35H29N3O2S2/c1-40-30-21-23(19-20-29(30)39)34-25(22-36-24-11-3-2-4-12-24)35(37-26-13-5-8-16-31(26)42-34)38-27-14-6-9-17-32(27)41-33-18-10-7-15-28(33)38/h2-21,25,34,36,39H,22H2,1H3