1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Openeye Name: 1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-3-styrylsulfanyl-propan-1-one CAS Name: 1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-3-(2-phenylethenylthio)-1-propanone IUPAC Name: 1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Traditional Name: 1-[4-(2-furfuryl)-1,4-diazepan-1-yl]-3-(styrylthio)propan-1-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C21H26N2O2S/c24-21(10-17-26-16-9-19-6-2-1-3-7-19)23-12-5-11-22(13-14-23)18-20-8-4-15-25-20/h1-4,6-9,15-16H,5,10-14,17-18H2