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

Systemtic Name: N-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N(CCO)CC4=CC=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N(CCO)CC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C26H25N3O4S/c1-33-23-10-6-5-9-20(23)17-29-25(32)21-12-11-19(15-22(21)27-26(29)34)24(31)28(13-14-30)16-18-7-3-2-4-8-18/h2-12,15,30H,13-14,16-17H2,1H3,(H,27,34)