N,N-diethyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N,N-diethyl-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N,N-diethyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-4-7-11-16-29-25(32)21-15-14-20(24(31)28(5-2)6-3)17-22(21)27-26(29)33-18-23(30)19-12-9-8-10-13-19/h8-10,12-15,17H,4-7,11,16,18H2,1-3H3