4-[[6-(2-azanyl-1,3-thiazolidin-2-yl)-6-oxidanylidene-hexyl]amino]-3-bromanyl-benzenecarbonitrile

Systemtic Name: 4-[[6-(2-azanyl-1,3-thiazolidin-2-yl)-6-oxidanylidene-hexyl]amino]-3-bromanyl-benzenecarbonitrile Openeye Name: 4-[[6-(2-aminothiazolidin-2-yl)-6-oxo-hexyl]amino]-3-bromo-benzonitrile CAS Name: 4-[[6-(2-amino-2-thiazolidinyl)-6-oxohexyl]amino]-3-bromobenzonitrile IUPAC Name: 4-[[6-(2-amino-1,3-thiazolidin-2-yl)-6-oxohexyl]amino]-3-bromobenzonitrile Traditional Name: 4-[[6-(2-aminothiazolidin-2-yl)-6-keto-hexyl]amino]-3-bromo-benzonitrile Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1)(C(=O)CCCCCNC2=C(C=C(C=C2)C#N)Br)N

Isomeric SMILES

C1CSC(N1)(C(=O)CCCCCNC2=C(C=C(C=C2)C#N)Br)N

InChI

InChI=1S/C16H21BrN4OS/c17-13-10-12(11-18)5-6-14(13)20-7-3-1-2-4-15(22)16(19)21-8-9-23-16/h5-6,10,20-21H,1-4,7-9,19H2