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

Systemtic Name: 3-chloranyl-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[2-(4-methoxyphenyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: (3-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=C7)Cl

Isomeric SMILES

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

InChI

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