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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NN2CCOCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NN2CCOCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c1-12-14(13-6-4-3-5-7-13)15(17(22)23-2)16(26-12)19-18(25)20-21-8-10-24-11-9-21/h3-7H,8-11H2,1-2H3,(H2,19,20,25)