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

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3-methyl-butyramide Formula: C15H16ClN3O2S2 MolecularWeight: 369.88944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C15H16ClN3O2S2/c1-8(2)7-11(20)17-15(22)19-18-14(21)13-12(16)9-5-3-4-6-10(9)23-13/h3-6,8H,7H2,1-2H3,(H,18,21)(H2,17,19,20,22)