4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-20-8-4-12-26(20)13-5-11-24-21(29)17-9-10-18-19(14-17)25-23(31)27(22(18)30)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14H,4-5,8,11-13,15H2,(H,24,29)(H,25,31)