4-oxidanylidene-N-pentan-2-yl-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

Isomeric SMILES

CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

InChI

InChI=1S/C17H21N3O2S/c1-4-6-11(3)18-15(21)12-7-8-13-14(10-12)19-17(23)20(9-5-2)16(13)22/h5,7-8,10-11H,2,4,6,9H2,1,3H3,(H,18,21)(H,19,23)