N-[3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(2-bromoanilino)-2-oxoethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(2-bromoanilino)-2-keto-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C27H22BrN3O2S2 MolecularWeight: 564.51648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53)Br

InChI

InChI=1S/C27H22BrN3O2S2/c28-20-10-1-2-11-21(20)30-26(32)17-34-19-9-7-8-18(16-19)29-27(33)31-22-12-3-5-14-24(22)35-25-15-6-4-13-23(25)31/h1-16,22,24H,17H2,(H,29,33)(H,30,32)