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

Systemtic Name: methyl 2-(butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(butylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S2/c1-3-4-10-18-17(22)19-15-13(16(20)21-2)11-14(23-15)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,18,19,22)