1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(2-thienyl)methyl]-1,4-diazepane Formula: C17H22N2S2 MolecularWeight: 318.49998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

InChI

InChI=1S/C17H22N2S2/c1-20-15-7-5-14(6-8-15)17(16-4-2-13-21-16)19-11-3-9-18-10-12-19/h2,4-8,13,17-18H,3,9-12H2,1H3