N-methyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-3-pentyl-2-(phenacylthio)-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-4-keto-N-methyl-2-(phenacylthio)quinazoline-7-carboxamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O3S/c1-3-4-11-18-33-29(36)25-17-16-24(28(35)32(2)20-22-12-7-5-8-13-22)19-26(25)31-30(33)37-21-27(34)23-14-9-6-10-15-23/h5-10,12-17,19H,3-4,11,18,20-21H2,1-2H3