(5-bromanylthiophen-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C14H16BrN3OS2 MolecularWeight: 386.33034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(S2)Br)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)Br)CC3=NC=CS3

InChI

InChI=1S/C14H16BrN3OS2/c15-12-3-2-11(21-12)14(19)18-6-1-5-17(7-8-18)10-13-16-4-9-20-13/h2-4,9H,1,5-8,10H2