2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC4=CC=CO4

InChI

InChI=1S/C20H21ClN2O2S/c21-16-4-5-19-18(12-16)15(14-26-19)11-20(24)23-7-2-6-22(8-9-23)13-17-3-1-10-25-17/h1,3-5,10,12,14H,2,6-9,11,13H2