N-[(4-chlorophenyl)methyl]-2-[[2-(ethylamino)-2-phenyl-ethoxy]methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[[2-(ethylamino)-2-phenyl-ethoxy]methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[2-(ethylamino)-2-phenyl-ethoxy]methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[2-(ethylamino)-2-phenylethoxy]methyl]-7-methyl-4-oxo-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[[2-(ethylamino)-2-phenylethoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-[[2-(ethylamino)-2-phenyl-ethoxy]methyl]-4-keto-7-methyl-thieno[2,3-b]pyridine-5-carboxamide Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(COCC1=CC2=C(S1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCNC(COCC1=CC2=C(S1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O3S/c1-3-29-24(19-7-5-4-6-8-19)17-34-16-21-13-22-25(32)23(15-31(2)27(22)35-21)26(33)30-14-18-9-11-20(28)12-10-18/h4-13,15,24,29H,3,14,16-17H2,1-2H3,(H,30,33)