N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C29H25N3O4S2 MolecularWeight: 543.6565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C29H25N3O4S2/c1-18(28(33)30-20-13-14-24-25(16-20)36-17-35-24)37-21-8-6-7-19(15-21)31-29(34)32-22-9-2-4-11-26(22)38-27-12-5-3-10-23(27)32/h2-16,18,22,26H,17H2,1H3,(H,30,33)(H,31,34)