N-tert-butyl-3-chloranyl-7-(thiophen-2-ylcarbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-(thiophen-2-ylcarbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-(thiophene-2-carbonylcarbamothioylamino)benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-(thiophene-2-carbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(2-thenoylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C19H18ClN3O2S3 MolecularWeight: 452.01312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C19H18ClN3O2S3/c1-19(2,3)23-17(25)15-13(20)10-6-4-7-11(14(10)28-15)21-18(26)22-16(24)12-8-5-9-27-12/h4-9H,1-3H3,(H,23,25)(H2,21,22,24,26)