(2S)-N-(7-chloranyl-9-oxidanylidene-thioxanthen-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

Systemtic Name: (2S)-N-(7-chloranyl-9-oxidanylidene-thioxanthen-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide Openeye Name: (2S)-N-(7-chloro-9-oxo-thioxanthen-2-yl)-2-(4-isobutylphenyl)propanamide CAS Name: (2S)-N-(7-chloro-9-oxo-2-thioxanthenyl)-2-[4-(2-methylpropyl)phenyl]propanamide IUPAC Name: (2S)-N-(7-chloro-9-oxothioxanthen-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide Traditional Name: (2S)-N-(7-chloro-9-keto-thioxanthen-2-yl)-2-(4-isobutylphenyl)propionamide Formula: C26H24ClNO2S MolecularWeight: 449.99226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)NC2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C26H24ClNO2S/c1-15(2)12-17-4-6-18(7-5-17)16(3)26(30)28-20-9-11-24-22(14-20)25(29)21-13-19(27)8-10-23(21)31-24/h4-11,13-16H,12H2,1-3H3,(H,28,30)/t16-/m0/s1