ethyl 2-(3-methoxypropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-methoxypropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-methoxypropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methoxypropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methoxypropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCOC

InChI

InChI=1S/C18H22N2O3S2/c1-3-23-17(21)14-12-15(13-8-5-4-6-9-13)25-16(14)20-18(24)19-10-7-11-22-2/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,19,20,24)