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

Systemtic Name: 3-chloranyl-N-[[2-(4-dimethylaminophenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[2-(4-dimethylaminophenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[2-(4-dimethylaminophenyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[2-(4-dimethylaminophenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: [4-[3-[(3-chloroanilino)methyl]-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzothiazepin-2-yl]phenyl]-dimethyl-amine Formula: C36H31ClN4S2 MolecularWeight: 619.24114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=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/C36H31ClN4S2/c1-40(2)27-20-18-24(19-21-27)35-28(23-38-26-11-9-10-25(37)22-26)36(39-29-12-3-6-15-32(29)43-35)41-30-13-4-7-16-33(30)42-34-17-8-5-14-31(34)41/h3-22,28,35,38H,23H2,1-2H3