7-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 7-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 7-[(4-butoxybenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: 7-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 7-[(4-butoxybenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 7-[(4-butoxybenzoyl)thiocarbamoylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C25H28ClN3O3S2 MolecularWeight: 518.09112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H28ClN3O3S2/c1-5-6-14-32-16-12-10-15(11-13-16)22(30)28-24(33)27-18-9-7-8-17-19(26)21(34-20(17)18)23(31)29-25(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,29,31)(H2,27,28,30,33)