5-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(benzothiophene-2-carbonyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C20H18N4O2S/c21-12-15-20(26-18(22-15)13-5-6-13)24-9-7-23(8-10-24)19(25)17-11-14-3-1-2-4-16(14)27-17/h1-4,11,13H,5-10H2