3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]-4-methyl-benzoic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-3-22(24(29)27-21-14-18(25(30)31)13-12-16(21)2)32-20-11-7-10-19(15-20)26-23(28)17-8-5-4-6-9-17/h7,10-15,17,22H,3-6,8-9H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)