propan-2-yl 2-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-amino-6-propan-2-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid isopropyl ester Formula: C25H24BrN3O3S2 MolecularWeight: 558.51036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)OC(C)C)N

Isomeric SMILES

CC(C)C1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)OC(C)C)N

InChI

InChI=1S/C25H24BrN3O3S2/c1-12(2)18-10-9-16-20(27)21(34-23(16)28-18)22(30)29-24-19(25(31)32-13(3)4)17(11-33-24)14-5-7-15(26)8-6-14/h5-13H,27H2,1-4H3,(H,29,30)