N-[1-(1-adamantyl)ethyl]-3-azanyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-azanyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-amino-6-(3-methoxyphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C5=C(S4)N=C(C=C5)C6=CC(=CC=C6)OC)N

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C5=C(S4)N=C(C=C5)C6=CC(=CC=C6)OC)N

InChI

InChI=1S/C27H31N3O2S/c1-15(27-12-16-8-17(13-27)10-18(9-16)14-27)29-25(31)24-23(28)21-6-7-22(30-26(21)33-24)19-4-3-5-20(11-19)32-2/h3-7,11,15-18H,8-10,12-14,28H2,1-2H3,(H,29,31)