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

Systemtic Name: 3-cyclohexyl-N-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-4-keto-N-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

InChI

InChI=1S/C23H25N3O3S/c1-29-18-10-7-15(8-11-18)14-24-21(27)16-9-12-19-20(13-16)25-23(30)26(22(19)28)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,24,27)(H,25,30)