N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-21(2,3)13-10-8-12(9-11-13)18(26)24-25-20(28)23-19(27)17-16(22)14-6-4-5-7-15(14)29-17/h4-11H,1-3H3,(H,24,26)(H2,23,25,27,28)