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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-24(13-15-6-3-2-4-7-15)20(26)16-9-10-18-19(12-16)23-22(29)25(21(18)27)14-17-8-5-11-28-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,29)