4-(1-ethylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C21H25N5OS/c1-3-26-19-10-5-4-9-18(19)23-20(26)24-11-13-25(14-12-24)21(27)22-16-7-6-8-17(15-16)28-2/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)