methyl 4-azanyl-3-(cyclohexylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-azanyl-3-(cyclohexylcarbamothioylamino)benzoate Openeye Name: methyl 4-amino-3-(cyclohexylcarbamothioylamino)benzoate CAS Name: 4-amino-3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(cyclohexylcarbamothioylamino)benzoate Traditional Name: 4-amino-3-(cyclohexylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)NC(=S)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)NC(=S)NC2CCCCC2

InChI

InChI=1S/C15H21N3O2S/c1-20-14(19)10-7-8-12(16)13(9-10)18-15(21)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H2,17,18,21)