N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CSC=C3

InChI

InChI=1S/C22H28N4O2S2/c1-25(2)19(16-11-13-30-15-16)14-23-20(27)10-4-3-7-12-26-21(28)17-8-5-6-9-18(17)24-22(26)29/h5-6,8-9,11,13,15,19H,3-4,7,10,12,14H2,1-2H3,(H,23,27)(H,24,29)