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

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H22N4O4S2/c1-3-8-23-16-7-6-15(24(27)28)10-17(16)30-20(23)21-18(25)12-29-13-19(26)22-9-4-5-14(2)11-22/h1,6-7,10,14H,4-5,8-9,11-13H2,2H3