methyl 6-[[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C)NNC(=S)NCCCCCC(=O)OC)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C(C)NNC(=S)NCCCCCC(=O)OC)C(=O)C=C1

InChI

InChI=1S/C17H25N3O3S/c1-12-8-9-15(21)14(11-12)13(2)19-20-17(24)18-10-6-4-5-7-16(22)23-3/h8-9,11,19H,4-7,10H2,1-3H3,(H2,18,20,24)