(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(3-aminocarbonylphenyl)carbamoyl]phenyl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(3-aminocarbonylphenyl)carbamoyl]phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(3-carbamoylphenyl)carbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-[(3-carbamoylanilino)-oxomethyl]phenyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[(3-carbamoylphenyl)carbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(3-carbamoylphenyl)carbamoyl]phenyl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)N)C(C)C

InChI

InChI=1S/C26H32N2O4S/c1-16(2)20-12-11-17(3)13-22(20)32-24(29)15-33-23-10-5-4-9-21(23)26(31)28-19-8-6-7-18(14-19)25(27)30/h4-10,14,16-17,20,22H,11-13,15H2,1-3H3,(H2,27,30)(H,28,31)