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

Systemtic Name: 3-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-cyclohexyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-4-oxo-2-(phenacylthio)-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-cyclohexyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: N-benzyl-3-cyclohexyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3S/c34-27(22-12-6-2-7-13-22)20-37-30-32-26-18-23(28(35)31-19-21-10-4-1-5-11-21)16-17-25(26)29(36)33(30)24-14-8-3-9-15-24/h1-2,4-7,10-13,16-18,24H,3,8-9,14-15,19-20H2,(H,31,35)