3-[2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C18H21N5O2S/c1-14(24)21-9-11-22(12-10-21)17(25)13-26-18-20-15-5-2-3-6-16(15)23(18)8-4-7-19/h2-3,5-6H,4,8-13H2,1H3