N-ethyl-4-(5-phenylthieno[3,2-b]pyridin-7-yl)-1,4-diazepane-1-carboxamide dihydrochloride

Systemtic Name: N-ethyl-4-(5-phenylthieno[3,2-b]pyridin-7-yl)-1,4-diazepane-1-carboxamide dihydrochloride Openeye Name: N-ethyl-4-(5-phenylthieno[3,2-b]pyridin-7-yl)-1,4-diazepane-1-carboxamide dihydrochloride CAS Name: N-ethyl-4-(5-phenyl-7-thieno[3,2-b]pyridinyl)-1,4-diazepane-1-carboxamide dihydrochloride IUPAC Name: N-ethyl-4-(5-phenylthieno[3,2-b]pyridin-7-yl)-1,4-diazepane-1-carboxamide dihydrochloride Traditional Name: N-ethyl-4-(5-phenylthieno[3,2-b]pyridin-7-yl)-1,4-diazepane-1-carboxamide dihydrochloride Formula: C21H26Cl2N4OS MolecularWeight: 453.42834

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=CC(=NC3=C2SC=C3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=CC(=NC3=C2SC=C3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H24N4OS.2ClH/c1-2-22-21(26)25-11-6-10-24(12-13-25)19-15-18(16-7-4-3-5-8-16)23-17-9-14-27-20(17)19;;/h3-5,7-9,14-15H,2,6,10-13H2,1H3,(H,22,26);2*1H