3-bromanyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-14(2)13-29-19-10-7-16(12-18(19)23)21(28)25-22(30)24-17-8-5-15(6-9-17)11-20(27)26(3)4/h5-10,12,14H,11,13H2,1-4H3,(H2,24,25,28,30)