1-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]isoquinoline-4-carbonitrile

Systemtic Name: 1-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 1-[4-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 1-[4-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 1-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 1-[4-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)piperazino]isoquinoline-4-carbonitrile Formula: C23H30N6OS MolecularWeight: 438.5889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=C(C4=CC=CC=C43)C#N

Isomeric SMILES

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=C(C4=CC=CC=C43)C#N

InChI

InChI=1S/C23H30N6OS/c24-15-18-16-26-22(20-6-2-1-5-19(18)20)28-11-9-27(10-12-28)8-4-3-7-21(25)23(30)29-13-14-31-17-29/h1-2,5-6,16,21H,3-4,7-14,17,25H2