methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-3-methyl-butanoate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-3-methylbutanoate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-3-methyl-butyric acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C17H26N2O2S/c1-6-12-9-8-10-13(7-2)15(12)19-17(22)18-14(11(3)4)16(20)21-5/h8-11,14H,6-7H2,1-5H3,(H2,18,19,22)