2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-4-methyl-pentanethioamide

Systemtic Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-4-methyl-pentanethioamide Openeye Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-4-methyl-pentanethioamide CAS Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-4-methylpentanethioamide IUPAC Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-4-methylpentanethioamide Traditional Name: 2-[1,3-benzoxazol-2-yl-(4-chlorobenzyl)amino]-N-cyclohexyl-4-methyl-thiovaleramide Formula: C26H32ClN3OS MolecularWeight: 470.06978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H32ClN3OS/c1-18(2)16-23(25(32)28-21-8-4-3-5-9-21)30(17-19-12-14-20(27)15-13-19)26-29-22-10-6-7-11-24(22)31-26/h6-7,10-15,18,21,23H,3-5,8-9,16-17H2,1-2H3,(H,28,32)