3-[5-(4-bromophenyl)-1-(carbamothioylamino)pyrrol-2-yl]propanoate

Systemtic Name: 3-[5-(4-bromophenyl)-1-(carbamothioylamino)pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-(carbamothioylamino)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-(carbamothioylamino)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-(carbamothioylamino)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-thioureido-pyrrol-2-yl]propionate Formula: C14H13BrN3O2S- MolecularWeight: 367.24092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(N2NC(=S)N)CCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(N2NC(=S)N)CCC(=O)[O-])Br

InChI

InChI=1S/C14H14BrN3O2S/c15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)/p-1