3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-cyclohexyl-propanamide

Systemtic Name: 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-cyclohexyl-propanamide Openeye Name: 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-cyclohexyl-propanamide CAS Name: 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-cyclohexylpropanamide IUPAC Name: 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-cyclohexylpropanamide Traditional Name: 3-[[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-cyclohexyl-propionamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)NC1CCCCC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N(CCC(=O)NC1CCCCC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4OS/c1-15(2)26(13-12-20(27)23-18-6-4-3-5-7-18)21-24-19(25-28-21)14-16-8-10-17(22)11-9-16/h8-11,15,18H,3-7,12-14H2,1-2H3,(H,23,27)