4-[[4-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butanoate

Systemtic Name: 4-[[4-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butanoate Openeye Name: 4-[[4-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butanoate CAS Name: 4-[[4-[(1Z)-1-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]sulfonyl-methylamino]butanoate IUPAC Name: 4-[[4-[(Z)-N-(ethylcarbamothioylamino)-C-methylcarbonimidoyl]phenyl]sulfonyl-methylamino]butanoate Traditional Name: 4-[[4-[(Z)-N-(ethylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butyrate Formula: C16H23N4O4S2- MolecularWeight: 399.50822

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=C(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S2/c1-4-17-16(25)19-18-12(2)13-7-9-14(10-8-13)26(23,24)20(3)11-5-6-15(21)22/h7-10H,4-6,11H2,1-3H3,(H,21,22)(H2,17,19,25)/p-1/b18-12-