N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[2,5-diethoxy-4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)phenyl]thiophene-2-carboxamide CAS Name: N-[2,5-diethoxy-4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[2,5-diethoxy-4-(tetrahydrofurfurylthiocarbamoylamino)phenyl]thiophene-2-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCC3CCCO3

InChI

InChI=1S/C21H27N3O4S2/c1-3-26-17-12-16(24-21(29)22-13-14-7-5-9-28-14)18(27-4-2)11-15(17)23-20(25)19-8-6-10-30-19/h6,8,10-12,14H,3-5,7,9,13H2,1-2H3,(H,23,25)(H2,22,24,29)