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

Systemtic Name: 3-[1-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperidin-4-yl]-1,2-benzoxazole-5-carbonitrile Openeye Name: 3-[1-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)-4-piperidyl]-1,2-benzoxazole-5-carbonitrile CAS Name: 3-[1-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-4-piperidinyl]-1,2-benzoxazole-5-carbonitrile IUPAC Name: 3-[1-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperidin-4-yl]-1,2-benzoxazole-5-carbonitrile Traditional Name: 3-[1-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)-4-piperidyl]indoxazene-5-carbonitrile Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=C(C=C3)C#N)CCCCC(C(=O)N4CCSC4)N

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=C(C=C3)C#N)CCCCC(C(=O)N4CCSC4)N

InChI

InChI=1S/C22H29N5O2S/c23-14-16-4-5-20-18(13-16)21(25-29-20)17-6-9-26(10-7-17)8-2-1-3-19(24)22(28)27-11-12-30-15-27/h4-5,13,17,19H,1-3,6-12,15,24H2