4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-27-18-15(21)6-7-16-17(18)23-20(28-16)25-10-8-24(9-11-25)19(26)14-4-2-13(12-22)3-5-14/h2-7H,8-11H2,1H3