N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-bromanyl-2-methyl-phenyl)amino]-N-phenyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-bromanyl-2-methyl-phenyl)amino]-N-phenyl-ethanamide Openeye Name: 2-(4-bromo-2-methyl-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-acetamide CAS Name: 2-(4-bromo-2-methylanilino)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenylacetamide IUPAC Name: 2-(4-bromo-2-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide Traditional Name: 2-(4-bromo-2-methyl-anilino)-N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-acetamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O3S/c1-14-11-15(20)7-8-18(14)21-12-19(23)22(16-5-3-2-4-6-16)17-9-10-26(24,25)13-17/h2-8,11,17,21H,9-10,12-13H2,1H3/t17-/m0/s1