N-[(4-methylphenyl)methyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-(p-tolylmethyl)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4CCCO4

InChI

InChI=1S/C22H23N3O3S/c1-14-4-6-15(7-5-14)12-23-20(26)16-8-9-18-19(11-16)24-22(29)25(21(18)27)13-17-3-2-10-28-17/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,26)(H,24,29)