2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]sulfanylacetic acid CAS Name: 2-[[2-[[[(4-methylcyclohexyl)-phenethylamino]-oxomethyl]amino]-5-thiazolyl]thio]acetic acid IUPAC Name: 2-[[2-[[(4-methylcyclohexyl)-phenethylcarbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-[[(4-methylcyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]thio]acetic acid Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCC(=O)O

Isomeric SMILES

CC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCC(=O)O

InChI

InChI=1S/C21H27N3O3S2/c1-15-7-9-17(10-8-15)24(12-11-16-5-3-2-4-6-16)21(27)23-20-22-13-19(29-20)28-14-18(25)26/h2-6,13,15,17H,7-12,14H2,1H3,(H,25,26)(H,22,23,27)