N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]thiophene-2-carboxamide CAS Name: N-[2,5-diethoxy-4-[[(3-ethoxypropylamino)-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[2,5-diethoxy-4-(3-ethoxypropylthiocarbamoylamino)phenyl]thiophene-2-carboxamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=CC=CS2)OCC

Isomeric SMILES

CCOCCCNC(=S)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=CC=CS2)OCC

InChI

InChI=1S/C21H29N3O4S2/c1-4-26-11-8-10-22-21(29)24-16-14-17(27-5-2)15(13-18(16)28-6-3)23-20(25)19-9-7-12-30-19/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,23,25)(H2,22,24,29)