3-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c32-24(28-17-15-20-9-3-1-4-10-20)16-18-31-26(34)22-13-7-8-14-23(22)30-27(31)35-19-25(33)29-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,28,32)(H,29,33)