4-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4,7-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=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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