4-[3-[(4-bromophenyl)carbamothioylamino]propyl-(2,3-dihydro-1H-inden-1-yl)amino]butanoic acid

Systemtic Name: 4-[3-[(4-bromophenyl)carbamothioylamino]propyl-(2,3-dihydro-1H-inden-1-yl)amino]butanoic acid Openeye Name: 4-[3-[(4-bromophenyl)carbamothioylamino]propyl-indan-1-yl-amino]butanoic acid CAS Name: 4-[3-[[(4-bromoanilino)-sulfanylidenemethyl]amino]propyl-(2,3-dihydro-1H-inden-1-yl)amino]butanoic acid IUPAC Name: 4-[3-[(4-bromophenyl)carbamothioylamino]propyl-(2,3-dihydro-1H-inden-1-yl)amino]butanoic acid Traditional Name: 4-[3-[(4-bromophenyl)thiocarbamoylamino]propyl-indan-1-yl-amino]butyric acid Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1N(CCCC(=O)O)CCCNC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC2=CC=CC=C2C1N(CCCC(=O)O)CCCNC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H28BrN3O2S/c24-18-9-11-19(12-10-18)26-23(30)25-14-4-16-27(15-3-7-22(28)29)21-13-8-17-5-1-2-6-20(17)21/h1-2,5-6,9-12,21H,3-4,7-8,13-16H2,(H,28,29)(H2,25,26,30)