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

Systemtic Name: N-[4-[3-(dimethylamino)propylcarbamothioylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(dimethylamino)propylcarbamothioylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(dimethylamino)propylcarbamothioylamino]-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(dimethylamino)propylthiocarbamoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S2/c1-5-27-17-14-16(24-21(29)22-10-8-11-25(3)4)18(28-6-2)13-15(17)23-20(26)19-9-7-12-30-19/h7,9,12-14H,5-6,8,10-11H2,1-4H3,(H,23,26)(H2,22,24,29)