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

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-allyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-methoxyphenyl)methyl]-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-methoxyphenyl)methyl]-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-allyl-4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-3-10-21-18(24)13-8-9-15-16(11-13)22-20(27)23(19(15)25)12-14-6-4-5-7-17(14)26-2/h3-9,11H,1,10,12H2,2H3,(H,21,24)(H,22,27)