3-[tert-butyl-(phenylmethyl)amino]-1-(5-chloranylthiophen-2-yl)propan-1-one

Systemtic Name: 3-[tert-butyl-(phenylmethyl)amino]-1-(5-chloranylthiophen-2-yl)propan-1-one Openeye Name: 3-[benzyl(tert-butyl)amino]-1-(5-chloro-2-thienyl)propan-1-one CAS Name: 3-[tert-butyl-(phenylmethyl)amino]-1-(5-chloro-2-thiophenyl)-1-propanone IUPAC Name: 3-[benzyl(tert-butyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one Traditional Name: 3-[benzyl(tert-butyl)amino]-1-(5-chloro-2-thienyl)propan-1-one Formula: C18H22ClNOS MolecularWeight: 335.89138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCC(=O)C1=CC=C(S1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N(CCC(=O)C1=CC=C(S1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H22ClNOS/c1-18(2,3)20(13-14-7-5-4-6-8-14)12-11-15(21)16-9-10-17(19)22-16/h4-10H,11-13H2,1-3H3