3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide Openeye Name: N-[2-(4-isopropoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide Traditional Name: N-[2-(4-isopropoxyphenyl)ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H25N3O3S/c1-15(2)28-17-9-7-16(8-10-17)11-13-23-20(26)12-14-25-21(27)18-5-3-4-6-19(18)24-22(25)29/h3-10,15H,11-14H2,1-2H3,(H,23,26)(H,24,29)