2-azanyl-4-[[4-[(6-chloranyl-1-benzothiophen-2-yl)methyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[[4-[(6-chloranyl-1-benzothiophen-2-yl)methyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-amino-4-[[4-[(6-chlorobenzothiophen-2-yl)methyl]-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 2-amino-4-[[4-[(6-chloro-1-benzothiophen-2-yl)methyl]-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-amino-4-[[4-[(6-chloro-1-benzothiophen-2-yl)methyl]-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-amino-4-[[4-[(6-chlorobenzothiophen-2-yl)methyl]-2-keto-piperazino]methyl]benzonitrile Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC(=C(C=C4)C#N)N

Isomeric SMILES

C1CN(C(=O)CN1CC2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC(=C(C=C4)C#N)N

InChI

InChI=1S/C21H19ClN4OS/c22-17-4-3-15-8-18(28-20(15)9-17)12-25-5-6-26(21(27)13-25)11-14-1-2-16(10-23)19(24)7-14/h1-4,7-9H,5-6,11-13,24H2