4-oxidanylidene-3-prop-2-enyl-N-(2-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-(2-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-[2-(1-pyrrolidinyl)butyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-(2-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(2-pyrrolidinobutyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)N3CCCC3

InChI

InChI=1S/C20H26N4O2S/c1-3-9-24-19(26)16-8-7-14(12-17(16)22-20(24)27)18(25)21-13-15(4-2)23-10-5-6-11-23/h3,7-8,12,15H,1,4-6,9-11,13H2,2H3,(H,21,25)(H,22,27)