(2-ethylsulfanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-ethylsulfanylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-ethylsulfanyl-3-pyridyl)methanone CAS Name: [2-(ethylthio)-3-pyridinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-ethylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(ethylthio)-3-pyridyl]methanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-2-25-19-18(10-6-11-21-19)20(24)23-13-7-12-22(14-15-23)16-17-8-4-3-5-9-17/h3-6,8-11H,2,7,12-16H2,1H3