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

Systemtic Name: N-[2,5-diethoxy-4-(phenethylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[2,5-diethoxy-4-(phenethylcarbamothioylamino)phenyl]thiophene-2-carboxamide CAS Name: N-[2,5-diethoxy-4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(phenethylcarbamothioylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[2,5-diethoxy-4-(phenethylthiocarbamoylamino)phenyl]thiophene-2-carboxamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S2/c1-3-29-20-16-19(27-24(31)25-13-12-17-9-6-5-7-10-17)21(30-4-2)15-18(20)26-23(28)22-11-8-14-32-22/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,26,28)(H2,25,27,31)