N-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(methylthio)phenyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(methylthio)phenyl]-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C18H23N3S3 MolecularWeight: 377.59032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H23N3S3/c1-23-17-6-3-2-5-16(17)19-18(22)21-9-4-8-20(10-11-21)13-15-7-12-24-14-15/h2-3,5-7,12,14H,4,8-11,13H2,1H3,(H,19,22)