3-chloranyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-13(2)11-12-29-15-9-7-14(8-10-15)20(27)25-26-22(30)24-21(28)19-18(23)16-5-3-4-6-17(16)31-19/h3-10,13H,11-12H2,1-2H3,(H,25,27)(H2,24,26,28,30)