N-(4-chlorophenyl)-5-oxidanylidene-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-5-oxidanylidene-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-5-oxo-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chlorophenyl)-5-oxo-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chlorophenyl)-5-oxo-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-5-keto-1,4-diazepane-1-carbothioamide Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCNC1=O)C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c13-9-1-3-10(4-2-9)15-12(18)16-7-5-11(17)14-6-8-16/h1-4H,5-8H2,(H,14,17)(H,15,18)