N-(1-adamantyl)-3-azanyl-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-(1-adamantyl)-3-azanyl-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-(1-adamantyl)-3-amino-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-(1-adamantyl)-3-amino-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-3-amino-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-(1-adamantyl)-3-amino-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C30H31N3O3S2 MolecularWeight: 545.71544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC45CC6CC(C4)CC(C6)C5)N)C7=CC=CS7)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC45CC6CC(C4)CC(C6)C5)N)C7=CC=CS7)OC

InChI

InChI=1S/C30H31N3O3S2/c1-35-22-6-5-19(11-23(22)36-2)20-12-21(24-4-3-7-37-24)32-29-25(20)26(31)27(38-29)28(34)33-30-13-16-8-17(14-30)10-18(9-16)15-30/h3-7,11-12,16-18H,8-10,13-15,31H2,1-2H3,(H,33,34)