N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NCC34CC5CC(C3)CC(C5)C4)NC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)NCC34CC5CC(C3)CC(C5)C4)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H33N3O3S/c1-17-8-22(15-35-2)23-24(32-26(33)21-6-4-3-5-7-21)25(36-28(23)31-17)27(34)30-16-29-12-18-9-19(13-29)11-20(10-18)14-29/h3-8,18-20H,9-16H2,1-2H3,(H,30,34)(H,32,33)