N-tert-butyl-3-chloranyl-7-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: 7-[(3-benzyloxybenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-phenylmethoxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: 7-[(3-benzoxybenzoyl)thiocarbamoylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C28H26ClN3O3S2 MolecularWeight: 552.10734

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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(=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O3S2/c1-28(2,3)32-26(34)24-22(29)20-13-8-14-21(23(20)37-24)30-27(36)31-25(33)18-11-7-12-19(15-18)35-16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,32,34)(H2,30,31,33,36)