N-[(4-cyanophenyl)carbamoyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H21N5O4S/c1-14(19(29)26-21(31)24-16-9-7-15(13-23)8-10-16)32-22-25-18-6-3-2-5-17(18)20(30)27(22)11-4-12-28/h2-3,5-10,14,28H,4,11-12H2,1H3,(H2,24,26,29,31)