2-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[methyl-[4-(methylthio)benzyl]amino]propanoylamino]thiophene-3-carboxamide Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC=C(C=C2)SC

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21N3O2S2/c1-20(11-12-3-5-13(23-2)6-4-12)9-7-15(21)19-17-14(16(18)22)8-10-24-17/h3-6,8,10H,7,9,11H2,1-2H3,(H2,18,22)(H,19,21)