methyl 3-(benzenecarbonothioylamino)-2-ethanoyl-4-methyl-pentanoate

Systemtic Name: methyl 3-(benzenecarbonothioylamino)-2-ethanoyl-4-methyl-pentanoate Openeye Name: methyl 2-acetyl-3-(benzenecarbonothioylamino)-4-methyl-pentanoate CAS Name: 2-acetyl-3-(benzenecarbonothioylamino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-(benzenecarbonothioylamino)-4-methylpentanoate Traditional Name: 2-acetyl-3-(benzenecarbonothioylamino)-4-methyl-valeric acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-10(2)14(13(11(3)18)16(19)20-4)17-15(21)12-8-6-5-7-9-12/h5-10,13-14H,1-4H3,(H,17,21)