6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]hexanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]hexanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c30-23(26-20-14-16-28(18-20)17-19-9-3-1-4-10-19)13-5-2-8-15-29-24(31)21-11-6-7-12-22(21)27-25(29)32/h1,3-4,6-7,9-12,20H,2,5,8,13-18H2,(H,26,30)(H,27,32)