2-[(4-bromophenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate

Systemtic Name: 2-[(4-bromophenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate Openeye Name: 2-[(4-bromophenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoate CAS Name: 2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate IUPAC Name: 2-[(4-bromophenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate Traditional Name: 2-[(4-bromophenyl)thiocarbamoylamino]-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionate Formula: C22H24BrN2O5S- MolecularWeight: 508.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H25BrN2O5S/c1-2-29-20(26)4-3-13-30-18-11-5-15(6-12-18)14-19(21(27)28)25-22(31)24-17-9-7-16(23)8-10-17/h5-12,19H,2-4,13-14H2,1H3,(H,27,28)(H2,24,25,31)/p-1