N-cycloheptyl-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c33-27(30-21-10-4-1-2-5-11-21)20-36-29-31-26-15-9-8-14-25(26)28(34)32(29)22-16-18-24(19-17-22)35-23-12-6-3-7-13-23/h3,6-9,12-19,21H,1-2,4-5,10-11,20H2,(H,30,33)