1-[1-azanyl-4,11-bis(3-methylbutoxy)-3-methylidene-2-oxidanyl-1H-pyrrolo[3,4-b]phenothiazin-10-yl]ethanone

Systemtic Name: 1-[1-azanyl-4,11-bis(3-methylbutoxy)-3-methylidene-2-oxidanyl-1H-pyrrolo[3,4-b]phenothiazin-10-yl]ethanone Openeye Name: 1-(1-amino-2-hydroxy-4,11-diisopentyloxy-3-methylene-1H-pyrrolo[3,4-b]phenothiazin-10-yl)ethanone CAS Name: 1-[1-amino-2-hydroxy-4,11-bis(3-methylbutoxy)-3-methylene-1H-pyrrolo[3,4-b]phenothiazin-10-yl]ethanone IUPAC Name: 1-[1-amino-2-hydroxy-4,11-bis(3-methylbutoxy)-3-methylidene-1H-pyrrolo[3,4-b]phenothiazin-10-yl]ethanone Traditional Name: 1-(1-amino-2-hydroxy-4,11-diisoamoxy-3-methylene-1H-pyrrolo[3,4-b]phenothiazin-10-yl)ethanone Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C2C(=C(C3=C1C(N(C3=C)O)N)OCCC(C)C)SC4=CC=CC=C4N2C(=O)C

Isomeric SMILES

CC(C)CCOC1=C2C(=C(C3=C1C(N(C3=C)O)N)OCCC(C)C)SC4=CC=CC=C4N2C(=O)C

InChI

InChI=1S/C27H35N3O4S/c1-15(2)11-13-33-24-22-21(17(5)30(32)27(22)28)25(34-14-12-16(3)4)26-23(24)29(18(6)31)19-9-7-8-10-20(19)35-26/h7-10,15-16,27,32H,5,11-14,28H2,1-4,6H3