N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CNC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CNC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C22H17ClN4OS/c23-16-4-6-18-17(12-16)15(13-25-18)7-8-24-21(28)14-3-5-19-20(11-14)29-22(26-19)27-9-1-2-10-27/h1-6,9-13,25H,7-8H2,(H,24,28)