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

Systemtic Name: N-[3-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(4-acetylanilino)-2-oxoethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(4-acetylanilino)-2-keto-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C29H25N3O3S2 MolecularWeight: 527.6571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O3S2/c1-19(33)20-13-15-21(16-14-20)30-28(34)18-36-23-8-6-7-22(17-23)31-29(35)32-24-9-2-4-11-26(24)37-27-12-5-3-10-25(27)32/h2-17,24,26H,18H2,1H3,(H,30,34)(H,31,35)