methyl 4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(isopropylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)NC(=S)N/N=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H17N3O2S/c1-9(2)15-13(19)16-14-8-10-4-6-11(7-5-10)12(17)18-3/h4-9H,1-3H3,(H2,15,16,19)/b14-8+