N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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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=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-22(2,3)13-7-5-12(6-8-13)19(27)25-26-21(30)24-20(28)18-17(23)15-10-9-14(29-4)11-16(15)31-18/h5-11H,1-4H3,(H,25,27)(H2,24,26,28,30)