N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylsulfanyl]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylthio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C31H31N3O2S2/c1-4-26(30(35)33-29-20(2)11-9-12-21(29)3)37-23-14-10-13-22(19-23)32-31(36)34-24-15-5-7-17-27(24)38-28-18-8-6-16-25(28)34/h5-19,24,26-27H,4H2,1-3H3,(H,32,36)(H,33,35)