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

Systemtic Name: 4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-thienylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-[3-(2-ketopyrrolidino)propyl]-N-(2-thenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CS4)NC2=S

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CS4)NC2=S

InChI

InChI=1S/C21H22N4O3S2/c26-18-5-1-8-24(18)9-3-10-25-20(28)16-7-6-14(12-17(16)23-21(25)29)19(27)22-13-15-4-2-11-30-15/h2,4,6-7,11-12H,1,3,5,8-10,13H2,(H,22,27)(H,23,29)