N-(2-methoxyphenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-methoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)NC1=S

InChI

InChI=1S/C21H23N3O3S/c1-3-4-7-12-24-20(26)15-11-10-14(13-17(15)23-21(24)28)19(25)22-16-8-5-6-9-18(16)27-2/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,25)(H,23,28)