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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C24H21N3O3S/c1-30-19-10-7-17(8-11-19)15-27-23(29)20-12-9-18(13-21(20)26-24(27)31)22(28)25-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,25,28)(H,26,31)