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

Systemtic Name: 4-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O2S/c1-14-3-8-17(27-2)18-19(14)28-21(23-18)25-11-9-24(10-12-25)20(26)16-6-4-15(13-22)5-7-16/h3-8H,9-12H2,1-2H3