4-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C21H20N4OS/c1-14-11-15(2)19-18(12-14)27-21(23-19)25-9-7-24(8-10-25)20(26)17-5-3-16(13-22)4-6-17/h3-6,11-12H,7-10H2,1-2H3