methyl 2-[(Z)-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 2-[(Z)-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylhydrazinylidene]methyl]benzoate Openeye Name: methyl 2-[(Z)-[(6-methoxy-6-oxo-hexyl)carbamothioylhydrazono]methyl]benzoate CAS Name: 2-[(Z)-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-[(6-methoxy-6-oxohexyl)carbamothioylhydrazinylidene]methyl]benzoate Traditional Name: 2-[(Z)-[(6-keto-6-methoxy-hexyl)thiocarbamoylhydrazono]methyl]benzoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC=CC=C1C(=O)OC

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-23-15(21)10-4-3-7-11-18-17(25)20-19-12-13-8-5-6-9-14(13)16(22)24-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H2,18,20,25)/b19-12-