4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4OS/c1-15(2)18-4-3-5-19-20(18)24-22(28-19)26-12-10-25(11-13-26)21(27)17-8-6-16(14-23)7-9-17/h3-9,15H,10-13H2,1-2H3