N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H24N4O2S/c1-2-17(26-10-9-14-5-3-4-6-16(14)13-26)12-23-20(27)15-7-8-18-19(11-15)24-22(29)25-21(18)28/h3-8,11,17H,2,9-10,12-13H2,1H3,(H,23,27)(H2,24,25,28,29)