N-[(1S)-1-(2-methylphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(1S)-1-(o-tolyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[(1S)-1-(o-tolyl)ethyl]hexanamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H27N3O2S/c1-16-10-5-6-11-18(16)17(2)24-21(27)14-4-3-9-15-26-22(28)19-12-7-8-13-20(19)25-23(26)29/h5-8,10-13,17H,3-4,9,14-15H2,1-2H3,(H,24,27)(H,25,29)/t17-/m0/s1