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

Systemtic Name: 2-chloranyl-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: 2-chloro-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: 2-chloro-N-[[2-(4-methoxyphenyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 2-chloro-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: (2-chlorophenyl)-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]amine Formula: C35H28ClN3OS2 MolecularWeight: 606.19932

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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=C7Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3S2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC=CC=C7Cl

InChI

InChI=1S/C35H28ClN3OS2/c1-40-24-20-18-23(19-21-24)34-25(22-37-27-11-3-2-10-26(27)36)35(38-28-12-4-7-15-31(28)42-34)39-29-13-5-8-16-32(29)41-33-17-9-6-14-30(33)39/h2-21,25,34,37H,22H2,1H3