N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H30N4O2S/c30-23(26-14-17-28-16-13-19-8-3-4-9-20(19)18-28)12-2-1-7-15-29-24(31)21-10-5-6-11-22(21)27-25(29)32/h3-6,8-11H,1-2,7,12-18H2,(H,26,30)(H,27,32)