3-butyl-1-[5,5-dimethyl-3-[(E)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-oxidanyl-urea

Systemtic Name: 3-butyl-1-[5,5-dimethyl-3-[(E)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-oxidanyl-urea Openeye Name: 3-butyl-1-[5,5-dimethyl-3-[(E)-3-pyridylmethyleneamino]-2-thioxo-thiazolidin-4-yl]-1-hydroxy-urea CAS Name: 3-butyl-1-[5,5-dimethyl-3-[(E)-3-pyridinylmethylideneamino]-2-sulfanylidene-4-thiazolidinyl]-1-hydroxyurea IUPAC Name: 3-butyl-1-[5,5-dimethyl-3-[(E)-pyridin-3-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea Traditional Name: 3-butyl-1-[5,5-dimethyl-3-[(E)-3-pyridylmethyleneamino]-2-thioxo-thiazolidin-4-yl]-1-hydroxy-urea Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1C(SC(=S)N1N=CC2=CN=CC=C2)(C)C)O

Isomeric SMILES

CCCCNC(=O)N(C1C(SC(=S)N1/N=C/C2=CN=CC=C2)(C)C)O

InChI

InChI=1S/C16H23N5O2S2/c1-4-5-9-18-14(22)21(23)13-16(2,3)25-15(24)20(13)19-11-12-7-6-8-17-10-12/h6-8,10-11,13,23H,4-5,9H2,1-3H3,(H,18,22)/b19-11+