4-[2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]ethyl]-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]ethyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethylamino]ethyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethylamino]ethyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethylamino]ethyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-[2-[1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethylamino]ethyl]-N-ethyl-piperazine-1-carbothioamide Formula: C22H29N7OS2 MolecularWeight: 471.64196

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCNC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCNC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C22H29N7OS2/c1-4-23-21(31)28-13-11-27(12-14-28)10-9-24-15(2)19-16(3)26-29(20(19)30)22-25-17-7-5-6-8-18(17)32-22/h5-8,24H,4,9-14H2,1-3H3,(H,23,31)