3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-5-(2-methylprop-2-enylamino)-4-pyrrolidin-1-ylcarbonyl-thiophene-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-5-(2-methylprop-2-enylamino)-4-pyrrolidin-1-ylcarbonyl-thiophene-2-carboxamide Openeye Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-5-(2-methylallylamino)-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide CAS Name: 3-amino-N-(4-bromo-3-methylphenyl)-5-(2-methylprop-2-enylamino)-4-[oxo(1-pyrrolidinyl)methyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-N-(4-bromo-3-methylphenyl)-5-(2-methylprop-2-enylamino)-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide Traditional Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-5-(2-methylallylamino)-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide Formula: C21H25BrN4O2S MolecularWeight: 477.4178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C(S2)NCC(=C)C)C(=O)N3CCCC3)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C(=C(S2)NCC(=C)C)C(=O)N3CCCC3)N)Br

InChI

InChI=1S/C21H25BrN4O2S/c1-12(2)11-24-20-16(21(28)26-8-4-5-9-26)17(23)18(29-20)19(27)25-14-6-7-15(22)13(3)10-14/h6-7,10,24H,1,4-5,8-9,11,23H2,2-3H3,(H,25,27)