4-[methyl-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate

Systemtic Name: 4-[methyl-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate Openeye Name: 4-[[4-[(Z)-N-(isopropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butanoate CAS Name: 4-[methyl-[4-[(1Z)-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[methyl-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[4-[(Z)-N-(isopropylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butyrate Formula: C17H25N4O4S2- MolecularWeight: 413.5348

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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)N(C)CCCC(=O)[O-]

Isomeric SMILES

CC(C)NC(=S)N/N=C(/C)\C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)[O-]

InChI

InChI=1S/C17H26N4O4S2/c1-12(2)18-17(26)20-19-13(3)14-7-9-15(10-8-14)27(24,25)21(4)11-5-6-16(22)23/h7-10,12H,5-6,11H2,1-4H3,(H,22,23)(H2,18,20,26)/p-1/b19-13-