2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-2-12-22-20(28)24-18(26)14-29-21-23-17-11-7-6-10-16(17)19(27)25(21)13-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H2,22,24,26,28)