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

Systemtic Name: N-cyclopentyl-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cyclopentyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)NC2=S

InChI

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