3-chloranyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H21ClN2O2S2 MolecularWeight: 481.02944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H21ClN2O2S2/c26-22-20-13-4-5-14-21(20)32-23(22)24(29)28-25(31)27-18-11-6-12-19(16-18)30-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H2,27,28,29,31)