3-ethyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[2-(2-methylpropanoylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-[2-(isobutyrylamino)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)NC1=S

InChI

InChI=1S/C17H22N4O3S/c1-4-21-16(24)12-6-5-11(9-13(12)20-17(21)25)15(23)19-8-7-18-14(22)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,22)(H,19,23)(H,20,25)