methyl 4-[(Z)-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[(6-methoxy-6-oxo-hexyl)carbamothioylhydrazono]methyl]benzoate CAS Name: 4-[(Z)-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[(6-methoxy-6-oxohexyl)carbamothioylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(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=C(C=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-23-15(21)6-4-3-5-11-18-17(25)20-19-12-13-7-9-14(10-8-13)16(22)24-2/h7-10,12H,3-6,11H2,1-2H3,(H2,18,20,25)/b19-12-