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

Systemtic Name: 2-methoxy-N-[(4-phenothiazin-10-yl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl)methyl]aniline Openeye Name: 2-methoxy-N-[(4-phenothiazin-10-yl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl)methyl]aniline CAS Name: 2-methoxy-N-[[4-(10-phenothiazinyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 2-methoxy-N-[(4-phenothiazin-10-yl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl)methyl]aniline Traditional Name: (2-methoxyphenyl)-[(4-phenothiazin-10-yl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl)methyl]amine Formula: C35H29N3OS2 MolecularWeight: 571.75426

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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=CC=C7

Isomeric SMILES

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

InChI

InChI=1S/C35H29N3OS2/c1-39-30-19-9-5-15-26(30)36-23-25-34(24-13-3-2-4-14-24)41-31-20-10-6-16-27(31)37-35(25)38-28-17-7-11-21-32(28)40-33-22-12-8-18-29(33)38/h2-22,25,34,36H,23H2,1H3