N-[3-(2-methylpropoxy)propyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(2-methylpropoxy)propyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-isobutoxypropyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(2-methylpropoxy)propyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(2-methylpropoxy)propyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-isobutoxypropyl)-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3S/c1-17(2)16-30-14-6-12-25-22(28)19-9-10-20-21(15-19)26-24(31)27(23(20)29)13-11-18-7-4-3-5-8-18/h3-5,7-10,15,17H,6,11-14,16H2,1-2H3,(H,25,28)(H,26,31)