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

Systemtic Name: 4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

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