3-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-13-7-9-15(12-17(13)21)19(26)23-20(27)22-16-6-4-5-14(11-16)8-10-18(25)24(2)3/h4-7,9,11-12H,8,10H2,1-3H3,(H2,22,23,26,27)