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

Systemtic Name: ethyl 2-(3-methoxypropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3-methoxypropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3-methoxypropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-methoxypropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCOC

InChI

InChI=1S/C19H24N2O3S2/c1-3-24-18(22)16-13-15(12-14-8-5-4-6-9-14)26-17(16)21-19(25)20-10-7-11-23-2/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H2,20,21,25)