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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

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