3-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-1,2-benzoxazole-5-carbonitrile

Systemtic Name: 3-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-1,2-benzoxazole-5-carbonitrile Openeye Name: 3-[4-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)piperazin-1-yl]-1,2-benzoxazole-5-carbonitrile CAS Name: 3-[4-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-1-piperazinyl]-1,2-benzoxazole-5-carbonitrile IUPAC Name: 3-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-1,2-benzoxazole-5-carbonitrile Traditional Name: 3-[4-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)piperazino]indoxazene-5-carbonitrile Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NOC4=C3C=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NOC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C21H28N6O2S/c22-14-16-4-5-19-17(13-16)20(24-29-19)26-9-7-25(8-10-26)6-2-1-3-18(23)21(28)27-11-12-30-15-27/h4-5,13,18H,1-3,6-12,15,23H2