1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[(2S)-2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[(2S)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-3-phenyl-propan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CCC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-17-26(23-24-21(25-29-23)16-20-10-6-3-7-11-20)14-15-27(18)22(28)13-12-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3/t18-/m0/s1