4-ethanoyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxamide Openeye Name: 4-acetyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-3,5-dioxo-cyclohexanecarboxamide CAS Name: 4-acetyl-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-methyl-3,5-dioxo-1-cyclohexanecarboxamide IUPAC Name: 4-acetyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-3,5-dioxocyclohexane-1-carboxamide Traditional Name: 4-acetyl-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3,5-diketo-1-methyl-cyclohexanecarboxamide Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC(=O)C(C(=O)C3)C(=O)C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3(CC(=O)C(C(=O)C3)C(=O)C)C

InChI

InChI=1S/C24H26N2O4S2/c1-4-5-6-7-8-11-31-23-26-17-10-9-16(12-20(17)32-23)25-22(30)24(3)13-18(28)21(15(2)27)19(29)14-24/h9-10,12,21H,4-5,8,11,13-14H2,1-3H3,(H,25,30)