N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide Formula: C20H21BrN2O2S2 MolecularWeight: 465.42694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H21BrN2O2S2/c1-13-11-16(21)7-8-17(13)22-18(24)12-23(2)19(25)14-3-5-15(6-4-14)20-26-9-10-27-20/h3-8,11,20H,9-10,12H2,1-2H3,(H,22,24)