(2S)-1-(4-ethylpiperazin-1-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: (2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazinyl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: (2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C18H25N5OS2 MolecularWeight: 391.554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(S2)NCC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(S2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS2/c1-3-22-9-11-23(12-10-22)16(24)14(2)25-18-21-20-17(26-18)19-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,19,20)/t14-/m0/s1