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

Systemtic Name: N-(3-methylphenyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(m-tolyl)-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylphenyl)-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(m-tolyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13-4-2-5-15(10-13)22-19(25)14-7-8-17-18(11-14)23-21(28)24(20(17)26)12-16-6-3-9-27-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,22,25)(H,23,28)