2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C21H24N4O4S2/c1-3-10-24-17-9-8-16(25(28)29)12-18(17)31-21(24)22-19(26)13-30-14-20(27)23-11-6-5-7-15(23)4-2/h1,8-9,12,15H,4-7,10-11,13-14H2,2H3