4-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C18H23N3OS2 MolecularWeight: 361.52472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23N3OS2/c1-24-17-8-3-2-7-16(17)19-18(23)21-10-5-9-20(11-12-21)14-15-6-4-13-22-15/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,19,23)