3-(4-chlorophenyl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]butan-1-one Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC2=CC=CO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC2=CC=CO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-16(26-19-7-5-17(21)6-8-19)14-20(24)23-10-3-9-22(11-12-23)15-18-4-2-13-25-18/h2,4-8,13,16H,3,9-12,14-15H2,1H3