(2-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [2-(4-pyridyl)thiazol-4-yl]-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-pyridin-4-yl-4-thiazolyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(4-pyridyl)thiazol-4-yl]-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC4=CSC=C4

InChI

InChI=1S/C19H20N4OS2/c24-19(17-14-26-18(21-17)16-2-5-20-6-3-16)23-8-1-7-22(9-10-23)12-15-4-11-25-13-15/h2-6,11,13-14H,1,7-10,12H2