2-ethyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[[4-(4-methoxyphenyl)-2-thiazolyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]piperazino]butan-1-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O2S/c1-4-16(5-2)21(25)24-12-10-23(11-13-24)14-20-22-19(15-27-20)17-6-8-18(26-3)9-7-17/h6-9,15-16H,4-5,10-14H2,1-3H3