[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(dimethylamino)-3-phenyl-thieno[2,3-d]imidazole-5-carboxylate CAS Name: 2-(dimethylamino)-3-phenyl-5-thieno[2,3-d]imidazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxylate Traditional Name: 2-(dimethylamino)-3-phenyl-thien[2,3-d]imidazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)N(C(=N3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)N(C(=N3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S/c1-16(20(28)26-13-9-4-5-10-14-26)30-22(29)19-15-18-21(31-19)27(23(24-18)25(2)3)17-11-7-6-8-12-17/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3