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

Systemtic Name: propan-2-yl 2-[(3-azanyl-6-propyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3-amino-6-propyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-amino-6-propyl-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-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-amino-6-propyl-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:

CCCC1=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

CCCC1=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/c1-4-5-16-10-11-17-20(27)21(34-23(17)28-16)22(30)29-24-19(25(31)32-13(2)3)18(12-33-24)14-6-8-15(26)9-7-14/h6-13H,4-5,27H2,1-3H3,(H,29,30)