N-aminocarbonyl-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-aminocarbonyl-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-carbamoyl-2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-carbamoyl-2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-carbamoyl-2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-carbamoyl-2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)N

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)N

InChI

InChI=1S/C21H30N4O3S/c1-14(2)10-6-4-5-9-13-25-19(27)16-11-7-8-12-17(16)23-21(25)29-15(3)18(26)24-20(22)28/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H3,22,24,26,28)