2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]quinazolin-4-one Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CCCO

InChI

InChI=1S/C25H21N3O3S2/c29-15-7-14-27-24(31)17-8-1-2-9-18(17)26-25(27)32-16-23(30)28-19-10-3-5-12-21(19)33-22-13-6-4-11-20(22)28/h1-6,8-13,29H,7,14-16H2