N-[[(2-butoxyphenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(2-butoxyphenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[(2-butoxybenzoyl)amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[(2-butoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(2-butoxybenzoyl)amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[(2-butoxybenzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-2-3-12-28-15-10-6-4-8-13(15)19(26)24-25-21(29)23-20(27)18-17(22)14-9-5-7-11-16(14)30-18/h4-11H,2-3,12H2,1H3,(H,24,26)(H2,23,25,27,29)