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

Systemtic Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-4-methyl-pentanethioamide Openeye Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-4-methyl-pentanethioamide CAS Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-4-methylpentanethioamide IUPAC Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-4-methylpentanethioamide Traditional Name: 2-[1,3-benzoxazol-2-yl-(4-chlorobenzyl)amino]-N-tert-butyl-4-methyl-thiovaleramide Formula: C24H30ClN3OS MolecularWeight: 444.0325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C24H30ClN3OS/c1-16(2)14-20(22(30)27-24(3,4)5)28(15-17-10-12-18(25)13-11-17)23-26-19-8-6-7-9-21(19)29-23/h6-13,16,20H,14-15H2,1-5H3,(H,27,30)