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

Systemtic Name: 4-[[6-(2-azanyl-1,3-thiazolidin-2-yl)-6-oxidanylidene-hexyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[6-(2-aminothiazolidin-2-yl)-6-oxo-hexyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[6-(2-amino-2-thiazolidinyl)-6-oxohexyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[6-(2-amino-1,3-thiazolidin-2-yl)-6-oxohexyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[6-(2-aminothiazolidin-2-yl)-6-keto-hexyl]amino]-3-nitro-benzonitrile Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1)(C(=O)CCCCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

Isomeric SMILES

C1CSC(N1)(C(=O)CCCCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

InChI

InChI=1S/C16H21N5O3S/c17-11-12-5-6-13(14(10-12)21(23)24)19-7-3-1-2-4-15(22)16(18)20-8-9-25-16/h5-6,10,19-20H,1-4,7-9,18H2