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

Systemtic Name: N-(3-methylbutyl)-4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-isopentyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylbutyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylbutyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-isoamyl-4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

InChI

InChI=1S/C21H28N4O3S/c1-14(2)8-9-22-19(27)15-6-7-16-17(13-15)23-21(29)25(20(16)28)12-4-11-24-10-3-5-18(24)26/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,22,27)(H,23,29)