methyl 6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,4,5-trimethylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C17H26N2O2S/c1-12-10-14(3)15(11-13(12)2)19-17(22)18-9-7-5-6-8-16(20)21-4/h10-11H,5-9H2,1-4H3,(H2,18,19,22)