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

Systemtic Name: ethyl 3-[(phenylmethyl)-[(4-propan-2-yloxyphenyl)carbonylcarbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-isopropoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-propan-2-yloxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-isopropoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-28-21(26)14-15-25(16-18-8-6-5-7-9-18)23(30)24-22(27)19-10-12-20(13-11-19)29-17(2)3/h5-13,17H,4,14-16H2,1-3H3,(H,24,27,30)