N-(ethylcarbamoyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: N-(ethylcarbamoyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(ethylcarbamoyl)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-3-22-20(28)24-18(26)14(2)29-21-23-17-12-8-7-11-16(17)19(27)25(21)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,22,24,26,28)