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

Systemtic Name: 2-[[2-[[(4-methoxycyclohexyl)-phenethyl-carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[2-[[(4-methoxycyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]sulfanylacetic acid CAS Name: 2-[[2-[[[(4-methoxycyclohexyl)-phenethylamino]-oxomethyl]amino]-5-thiazolyl]thio]acetic acid IUPAC Name: 2-[[2-[[(4-methoxycyclohexyl)-phenethylcarbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-[[(4-methoxycyclohexyl)-phenethyl-carbamoyl]amino]thiazol-5-yl]thio]acetic acid Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCC(=O)O

Isomeric SMILES

COC1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCC(=O)O

InChI

InChI=1S/C21H27N3O4S2/c1-28-17-9-7-16(8-10-17)24(12-11-15-5-3-2-4-6-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h2-6,13,16-17H,7-12,14H2,1H3,(H,25,26)(H,22,23,27)