(2-phenylsulfanylpyridin-3-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C21H22N4OS2/c26-21(18-8-4-9-23-20(18)28-17-6-2-1-3-7-17)25-12-5-11-24(13-14-25)16-19-22-10-15-27-19/h1-4,6-10,15H,5,11-14,16H2