2-[2-methoxy-5-[(Z)-C-methyl-N-(3-methylbutylcarbamothioylamino)carbonimidoyl]phenyl]ethanoate

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(3-methylbutylcarbamothioylamino)carbonimidoyl]phenyl]ethanoate Openeye Name: 2-[5-[(Z)-N-(isopentylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetate IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(3-methylbutylcarbamothioylamino)carbonimidoyl]phenyl]acetate Traditional Name: 2-[5-[(Z)-N-(isoamylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate Formula: C17H24N3O3S- MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-11(2)7-8-18-17(24)20-19-12(3)13-5-6-15(23-4)14(9-13)10-16(21)22/h5-6,9,11H,7-8,10H2,1-4H3,(H,21,22)(H2,18,20,24)/p-1/b19-12-