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

Systemtic Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O2S2/c24-20(19-12-6-14-27-19)23-21(26)22-17-10-4-11-18(15-17)25-13-5-9-16-7-2-1-3-8-16/h1-4,6-8,10-12,14-15H,5,9,13H2,(H2,22,23,24,26)