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

Systemtic Name: [4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[[[4-(4-methoxyphenyl)thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone CAS Name: [4-[[[4-(4-methoxyphenyl)-2-thiazolyl]-phenethylamino]methyl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenethylamino]methyl]phenyl]-piperazin-1-ylmethanone Traditional Name: [4-[[[4-(4-methoxyphenyl)thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazino-methanone Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C30H32N4O2S/c1-36-27-13-11-25(12-14-27)28-22-37-30(32-28)34(18-15-23-5-3-2-4-6-23)21-24-7-9-26(10-8-24)29(35)33-19-16-31-17-20-33/h2-14,22,31H,15-21H2,1H3