[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(2-furylmethyl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(2-furanylmethyl)-1,4-diazepan-1-yl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(2-furfuryl)-1,4-diazepan-1-yl]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24N2O3S/c1-23-18-13-16(25-2)6-7-17(18)19(22)21-9-4-8-20(10-11-21)14-15-5-3-12-24-15/h3,5-7,12-13H,4,8-11,14H2,1-2H3