3,6-bis(chloranyl)-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C22H18Cl2N4O2S MolecularWeight: 473.37492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N4O2S/c23-14-6-7-16-18(12-14)31-20(19(16)24)22(30)27-17-5-2-1-4-15(17)21(29)26-8-3-10-28-11-9-25-13-28/h1-2,4-7,9,11-13H,3,8,10H2,(H,26,29)(H,27,30)