N-(3-methylbutyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methylbutyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-isopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylbutyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylbutyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-isoamyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

InChI

InChI=1S/C17H21N3O2S/c1-4-9-20-16(22)13-6-5-12(10-14(13)19-17(20)23)15(21)18-8-7-11(2)3/h4-6,10-11H,1,7-9H2,2-3H3,(H,18,21)(H,19,23)