N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H21N3O3S/c1-2-20(27)23-15-9-7-14(8-10-15)19(26)13-29-22-24-18-6-4-3-5-17(18)21(28)25(22)16-11-12-16/h3-10,16H,2,11-13H2,1H3,(H,23,27)