N-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[4-(2-furylmethyl)-1,4-diazepane-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-[4-(2-furfuryl)-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-29-16-10-20(23-21(26)18-7-3-2-4-8-18)22(27)25-12-6-11-24(13-14-25)17-19-9-5-15-28-19/h2-5,7-9,15,20H,6,10-14,16-17H2,1H3,(H,23,26)