N-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-[5-[(2-ethoxy-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-[5-[(2-ethoxy-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetimidate Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H23N5O3S2/c1-2-26-16(25)13-27-18-21-20-17(28-18)19-15(24)12-22-8-10-23(11-9-22)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,20,24)