N-butan-2-yl-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-butan-2-yl-3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-4-oxo-N-sec-butyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butan-2-yl-3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butan-2-yl-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-4-keto-N-sec-butyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3

InChI

InChI=1S/C18H19N3O3S/c1-3-11(2)19-16(22)12-6-7-14-15(9-12)20-18(25)21(17(14)23)10-13-5-4-8-24-13/h4-9,11H,3,10H2,1-2H3,(H,19,22)(H,20,25)