1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-3-styrylsulfanyl-propan-1-one CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylthio)-1-propanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-3-(styrylthio)propan-1-one Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-20-7-5-10-22(24-20)19-25-13-6-14-26(16-15-25)23(27)12-18-28-17-11-21-8-3-2-4-9-21/h2-5,7-11,17H,6,12-16,18-19H2,1H3