methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-methyl-butanoyl]amino]propanoate

Systemtic Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-methyl-butanoyl]amino]propanoate Openeye Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-methyl-butanoyl]amino]propanoate CAS Name: 2-[[2-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-methylbutanoyl]amino]propanoate Traditional Name: 2-[[2-[(2-ethylphenyl)thiocarbamoylamino]-3-methyl-butanoyl]amino]propionic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(C(C)C)C(=O)NC(C)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(C(C)C)C(=O)NC(C)C(=O)OC

InChI

InChI=1S/C18H27N3O3S/c1-6-13-9-7-8-10-14(13)20-18(25)21-15(11(2)3)16(22)19-12(4)17(23)24-5/h7-12,15H,6H2,1-5H3,(H,19,22)(H2,20,21,25)