[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone Openeye Name: [4-(2-furylmethyl)-1,4-diazepan-1-yl]-(5-methylsulfanyl-2-thienyl)methanone CAS Name: [4-(2-furanylmethyl)-1,4-diazepan-1-yl]-[5-(methylthio)-2-thiophenyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone Traditional Name: [4-(2-furfuryl)-1,4-diazepan-1-yl]-[5-(methylthio)-2-thienyl]methanone Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C16H20N2O2S2/c1-21-15-6-5-14(22-15)16(19)18-8-3-7-17(9-10-18)12-13-4-2-11-20-13/h2,4-6,11H,3,7-10,12H2,1H3