methyl 2-(morpholin-4-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(morpholin-4-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(morpholinocarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(morpholin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(morpholinothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3CCOCC3

InChI

InChI=1S/C18H21N3O3S2/c1-23-17(22)15-12-14(11-13-5-3-2-4-6-13)26-16(15)19-18(25)20-21-7-9-24-10-8-21/h2-6,12H,7-11H2,1H3,(H2,19,20,25)