4-oxidanylidene-3-pentyl-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-pentyl-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-pentyl-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-pentyl-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H25N3O2S/c1-2-3-7-14-25-21(27)18-11-10-17(15-19(18)24-22(25)28)20(26)23-13-12-16-8-5-4-6-9-16/h4-6,8-11,15H,2-3,7,12-14H2,1H3,(H,23,26)(H,24,28)