[4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[[phenethyl-[4-(p-tolyl)thiazol-2-yl]amino]methyl]phenyl]-piperazin-1-yl-methanone CAS Name: [4-[[[4-(4-methylphenyl)-2-thiazolyl]-phenethylamino]methyl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenethylamino]methyl]phenyl]-piperazin-1-ylmethanone Traditional Name: [4-[[phenethyl-[4-(p-tolyl)thiazol-2-yl]amino]methyl]phenyl]-piperazino-methanone Formula: C30H32N4OS MolecularWeight: 496.66628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C30H32N4OS/c1-23-7-11-26(12-8-23)28-22-36-30(32-28)34(18-15-24-5-3-2-4-6-24)21-25-9-13-27(14-10-25)29(35)33-19-16-31-17-20-33/h2-14,22,31H,15-21H2,1H3