N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C35H29N3O4S2 MolecularWeight: 619.75246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)N5C6C=CC=CC6SC7=CC=CC=C75

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)N5C6C=CC=CC6SC7=CC=CC=C75

InChI

InChI=1S/C35H29N3O4S2/c39-34(36-25-17-18-29-30(22-25)42-20-19-41-29)33(23-9-2-1-3-10-23)43-26-12-8-11-24(21-26)37-35(40)38-27-13-4-6-15-31(27)44-32-16-7-5-14-28(32)38/h1-18,21-22,27,31,33H,19-20H2,(H,36,39)(H,37,40)