pyridin-3-yl-(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)methanone hydrochloride

Systemtic Name: pyridin-3-yl-(4-thieno[3,2-b]thiophen-5-ylcarbonyl-1,4-diazepan-1-yl)methanone hydrochloride Openeye Name: 3-pyridyl-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: [4-[oxo(5-thieno[3,2-b]thiophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyridinyl)methanone hydrochloride IUPAC Name: pyridin-3-yl-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride Traditional Name: 3-pyridyl-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)C(=O)C4=CN=CC=C4.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)C(=O)C4=CN=CC=C4.Cl

InChI

InChI=1S/C18H17N3O2S2.ClH/c22-17(13-3-1-5-19-12-13)20-6-2-7-21(9-8-20)18(23)16-11-15-14(25-16)4-10-24-15;/h1,3-5,10-12H,2,6-9H2;1H