1-(furan-2-ylmethyl)-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(2-furylmethyl)-4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-(2-furanylmethyl)-4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepane IUPAC Name: 1-(furan-2-ylmethyl)-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-furfuryl)-4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepane Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C16H22N2OS2/c1-20-16-6-5-15(21-16)13-18-8-3-7-17(9-10-18)12-14-4-2-11-19-14/h2,4-6,11H,3,7-10,12-13H2,1H3