N-methyl-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: N-methyl-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(3-thiophenylmethyl)acetamide IUPAC Name: N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-methyl-N-(3-thenyl)acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-15(2)8-10-24-20(26)17-6-4-5-7-18(17)22-21(24)28-14-19(25)23(3)12-16-9-11-27-13-16/h4-7,9,11,13,15H,8,10,12,14H2,1-3H3