N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O2S2/c25-19(13-8-15-5-2-1-3-6-15)22-16-9-11-17(12-10-16)23-21(27)24-20(26)18-7-4-14-28-18/h1-7,9-12,14H,8,13H2,(H,22,25)(H2,23,24,26,27)