N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=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)24-22(30)26-25-21(28)19-18(23)16-5-3-4-6-17(16)31-19/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H2,24,26,27,30)