[6-[(4-bromophenyl)amino]-10-chloranyl-9-methyl-12H-benzo[a]phenothiazin-5-yl] ethanoate

Systemtic Name: [6-[(4-bromophenyl)amino]-10-chloranyl-9-methyl-12H-benzo[a]phenothiazin-5-yl] ethanoate Openeye Name: [6-(4-bromoanilino)-10-chloro-9-methyl-12H-benzo[a]phenothiazin-5-yl] acetate CAS Name: acetic acid [6-(4-bromoanilino)-10-chloro-9-methyl-12H-benzo[a]phenothiazin-5-yl] ester IUPAC Name: [6-(4-bromoanilino)-10-chloro-9-methyl-12H-benzo[a]phenothiazin-5-yl] acetate Traditional Name: acetic acid [6-(4-bromoanilino)-10-chloro-9-methyl-12H-benzo[a]phenothiazin-5-yl] ester Formula: C25H18BrClN2O2S MolecularWeight: 525.84462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)NC3=C(S2)C(=C(C4=CC=CC=C43)OC(=O)C)NC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1Cl)NC3=C(S2)C(=C(C4=CC=CC=C43)OC(=O)C)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H18BrClN2O2S/c1-13-11-21-20(12-19(13)27)29-22-17-5-3-4-6-18(17)24(31-14(2)30)23(25(22)32-21)28-16-9-7-15(26)8-10-16/h3-12,28-29H,1-2H3