2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(1-cyclopropylimidazol-2-yl)thio]propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=CN3C4CC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=CN3C4CC4

InChI

InChI=1S/C20H26N4OS/c1-16(26-20-21-9-10-24(20)18-7-8-18)19(25)23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-6,9-10,16,18H,7-8,11-15H2,1H3