N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-cyclohexane-1-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-cyclohexane-1-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxy-cyclohexanecarboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methoxy-1-cyclohexanecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methoxycyclohexane-1-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexanecarboxamide Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCC(CC3)OC

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCC(CC3)OC

InChI

InChI=1S/C22H28N2O2S2/c1-3-4-5-6-7-14-27-22-24-19-13-10-17(15-20(19)28-22)23-21(25)16-8-11-18(26-2)12-9-16/h10,13,15-16,18H,3-4,7-9,11-12,14H2,1-2H3,(H,23,25)