ethyl 3-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(5-bromo-2-isopropoxy-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O4S/c1-4-29-21(27)12-13-26(15-17-8-6-5-7-9-17)23(31)25-22(28)19-14-18(24)10-11-20(19)30-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,25,28,31)