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

Systemtic Name: 3-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-methoxyethyl)-4-oxo-N-(p-tolylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-N-(4-methylbenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-13-3-5-14(6-4-13)12-21-18(24)15-7-8-16-17(11-15)22-20(27)23(19(16)25)9-10-26-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,27)