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

Systemtic Name: 3-chloranyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-isopentyloxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-isoamoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S2/c1-13(2)10-11-26-15-7-5-6-14(12-15)23-21(27)24-20(25)19-18(22)16-8-3-4-9-17(16)28-19/h3-9,12-13H,10-11H2,1-2H3,(H2,23,24,25,27)