7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)NC1=S

InChI

InChI=1S/C21H21N3O2S/c1-2-10-24-20(26)17-8-7-15(12-18(17)22-21(24)27)19(25)23-11-9-14-5-3-4-6-16(14)13-23/h3-8,12H,2,9-11,13H2,1H3,(H,22,27)