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

Systemtic Name: N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C27H22N4O4S2 MolecularWeight: 530.61798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22N4O4S2/c32-26(28-18-12-14-20(15-13-18)31(34)35)17-36-21-7-5-6-19(16-21)29-27(33)30-22-8-1-3-10-24(22)37-25-11-4-2-9-23(25)30/h1-16,22,24H,17H2,(H,28,32)(H,29,33)