1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-styrylsulfanyl-propan-1-one CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylthio)-1-propanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-(styrylthio)propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-23-13-10-22-20(23)18-24-11-5-12-25(15-14-24)21(26)9-17-27-16-8-19-6-3-2-4-7-19/h2-4,6-8,10,13,16H,5,9,11-12,14-15,17-18H2,1H3