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

Systemtic Name: 2-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: 2-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: 2-methoxy-N-[[2-(4-methoxyphenyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 2-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: (2-methoxyphenyl)-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]amine Formula: C36H31N3O2S2 MolecularWeight: 601.78024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC=CC=C7OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC=CC=C7OC

InChI

InChI=1S/C36H31N3O2S2/c1-40-25-21-19-24(20-22-25)35-26(23-37-27-11-3-7-15-31(27)41-2)36(38-28-12-4-8-16-32(28)43-35)39-29-13-5-9-17-33(29)42-34-18-10-6-14-30(34)39/h3-22,26,35,37H,23H2,1-2H3