N-butyl-2-[[(3-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[(3-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[(3-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[(3-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[(3-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(3-chlorobenzyl)-(3,3-diphenylpropyl)amino]methyl]thiazole-4-carboxamide Formula: C31H34ClN3OS MolecularWeight: 532.13916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C31H34ClN3OS/c1-2-3-18-33-31(36)29-23-37-30(34-29)22-35(21-24-11-10-16-27(32)20-24)19-17-28(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-16,20,23,28H,2-3,17-19,21-22H2,1H3,(H,33,36)