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

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C22H23N3OS2 MolecularWeight: 409.56752

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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=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C22H23N3OS2/c26-22(20-8-4-10-23-21(20)28-19-6-2-1-3-7-19)25-12-5-11-24(13-14-25)16-18-9-15-27-17-18/h1-4,6-10,15,17H,5,11-14,16H2