N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H18ClN3O2S2/c18-13-11-8-4-5-9-12(11)25-14(13)16(23)20-21-17(24)19-15(22)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,20,23)(H2,19,21,22,24)