4-[3-[(4-methylphenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid

Systemtic Name: 4-[3-[(4-methylphenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid Openeye Name: 4-[3-(p-tolylcarbamothioylamino)propyl-tetralin-1-yl-amino]butanoic acid CAS Name: 4-[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid IUPAC Name: 4-[3-[(4-methylphenyl)carbamothioylamino]propyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid Traditional Name: 4-[3-(p-tolylthiocarbamoylamino)propyl-tetralin-1-yl-amino]butyric acid Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCCCN(CCCC(=O)O)C2CCCC3=CC=CC=C23

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCCCN(CCCC(=O)O)C2CCCC3=CC=CC=C23

InChI

InChI=1S/C25H33N3O2S/c1-19-12-14-21(15-13-19)27-25(31)26-16-6-18-28(17-5-11-24(29)30)23-10-4-8-20-7-2-3-9-22(20)23/h2-3,7,9,12-15,23H,4-6,8,10-11,16-18H2,1H3,(H,29,30)(H2,26,27,31)