methyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(pentylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(pentylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-3-4-8-11-19-18(23)20-16-14(17(21)22-2)12-15(24-16)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,19,20,23)