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

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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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)N2C4CC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H19N5O3S/c1-13(19(28)26-21(30)24-15-8-6-14(12-23)7-9-15)31-22-25-18-5-3-2-4-17(18)20(29)27(22)16-10-11-16/h2-9,13,16H,10-11H2,1H3,(H2,24,26,28,30)