3-chloranyl-6-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(hydrocinnamoylamino)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S2/c1-27-13-8-9-14-15(11-13)29-18(17(14)21)19(26)22-20(28)24-23-16(25)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,23,25)(H2,22,24,26,28)