ethyl 3-(benzenecarbonothioylamino)-4-methyl-2-(phenylcarbonyl)pentanoate

Systemtic Name: ethyl 3-(benzenecarbonothioylamino)-4-methyl-2-(phenylcarbonyl)pentanoate Openeye Name: ethyl 3-(benzenecarbonothioylamino)-2-benzoyl-4-methyl-pentanoate CAS Name: 3-(benzenecarbonothioylamino)-2-benzoyl-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenecarbonothioylamino)-2-benzoyl-4-methylpentanoate Traditional Name: 3-(benzenecarbonothioylamino)-2-benzoyl-4-methyl-valeric acid ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)NC(=S)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C(C)C)NC(=S)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO3S/c1-4-26-22(25)18(20(24)16-11-7-5-8-12-16)19(15(2)3)23-21(27)17-13-9-6-10-14-17/h5-15,18-19H,4H2,1-3H3,(H,23,27)