ethyl 3-[(phenylmethyl)-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-isopropylbenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-propan-2-ylbenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl(cumoylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C23H28N2O3S/c1-4-28-21(26)14-15-25(16-18-8-6-5-7-9-18)23(29)24-22(27)20-12-10-19(11-13-20)17(2)3/h5-13,17H,4,14-16H2,1-3H3,(H,24,27,29)