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

Systemtic Name: 2-methoxy-4-[3-[[(2-methoxyphenyl)amino]methyl]-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Openeye Name: 2-methoxy-4-[3-[(2-methoxyanilino)methyl]-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol CAS Name: 2-methoxy-4-[3-[(2-methoxyanilino)methyl]-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol IUPAC Name: 2-methoxy-4-[3-[(2-methoxyanilino)methyl]-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Traditional Name: 2-methoxy-4-[3-(o-anisidinomethyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol Formula: C36H31N3O3S2 MolecularWeight: 617.77964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC2C(SC3=CC=CC=C3N=C2N4C5=CC=CC=C5SC6=CC=CC=C64)C7=CC(=C(C=C7)O)OC

Isomeric SMILES

COC1=CC=CC=C1NCC2C(SC3=CC=CC=C3N=C2N4C5=CC=CC=C5SC6=CC=CC=C64)C7=CC(=C(C=C7)O)OC

InChI

InChI=1S/C36H31N3O3S2/c1-41-30-15-7-3-11-25(30)37-22-24-35(23-19-20-29(40)31(21-23)42-2)44-32-16-8-4-12-26(32)38-36(24)39-27-13-5-9-17-33(27)43-34-18-10-6-14-28(34)39/h3-21,24,35,37,40H,22H2,1-2H3