2-[[4-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[4-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[[4-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-(2-ethoxyethoxy)benzoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H25N3O4S2/c1-2-27-11-12-28-14-9-7-13(8-10-14)19(26)23-21(29)24-20-17(18(22)25)15-5-3-4-6-16(15)30-20/h7-10H,2-6,11-12H2,1H3,(H2,22,25)(H2,23,24,26,29)