3-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[2-(p-tolyl)pyrrolidin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[2-(4-methylphenyl)-1-pyrrolidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[2-(p-tolyl)pyrrolidino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCN2C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H29N3O2S/c1-18-12-14-19(15-13-18)22-10-7-17-27(22)23(29)11-3-2-6-16-28-24(30)20-8-4-5-9-21(20)26-25(28)31/h4-5,8-9,12-15,22H,2-3,6-7,10-11,16-17H2,1H3,(H,26,31)