5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-2-methyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-piperazinyl]-2-methyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]piperazino]-2-methyl-oxazole-4-carbonitrile Formula: C20H22N6O3S MolecularWeight: 426.49208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=C(N=C(O4)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=C(N=C(O4)C)C#N

InChI

InChI=1S/C20H22N6O3S/c1-3-28-14-4-5-15-16(10-14)24-20(23-15)30-12-18(27)25-6-8-26(9-7-25)19-17(11-21)22-13(2)29-19/h4-5,10H,3,6-9,12H2,1-2H3,(H,23,24)