2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-benzyl-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C24H29N3O2S/c1-4-21(22(28)25-16-18-10-6-5-7-11-18)30-24-26-20-13-9-8-12-19(20)23(29)27(24)15-14-17(2)3/h5-13,17,21H,4,14-16H2,1-3H3,(H,25,28)