4-[[4-[(E)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[4-[(E)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-N-(isopropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(1E)-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-N-(isopropylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylamino]butyric acid Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=C(C)C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

CC(C)NC(=S)N/N=C(\C)/C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C16H24N4O4S2/c1-11(2)18-16(25)20-19-12(3)13-6-8-14(9-7-13)26(23,24)17-10-4-5-15(21)22/h6-9,11,17H,4-5,10H2,1-3H3,(H,21,22)(H2,18,20,25)/b19-12+