N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-4aH-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide Traditional Name: N-homoveratryl-4-keto-3-(tetrahydrofurfuryl)-2-thioxo-4aH-quinazoline-7-carboxamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)CC4CCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)CC4CCCO4)OC

InChI

InChI=1S/C24H27N3O5S/c1-30-20-8-5-15(12-21(20)31-2)9-10-25-22(28)16-6-7-18-19(13-16)26-24(33)27(23(18)29)14-17-4-3-11-32-17/h5-8,12-13,17-18H,3-4,9-11,14H2,1-2H3,(H,25,28)