2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C21H23N3O2S/c1-3-18(19(25)22-14-15-10-6-5-7-11-15)27-21-23-17-13-9-8-12-16(17)20(26)24(21)4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)