2,2-bis(chloranyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide

Systemtic Name: 2,2-bis(chloranyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide Openeye Name: 2,2-dichloro-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide CAS Name: 2,2-dichloro-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 2,2-dichloro-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide Traditional Name: 2,2-dichloro-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C18H18Cl2N2OS2 MolecularWeight: 413.38432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC3(Cl)Cl

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC3(Cl)Cl

InChI

InChI=1S/C18H18Cl2N2OS2/c1-2-3-4-5-6-9-24-17-22-14-8-7-12(10-15(14)25-17)21-16(23)13-11-18(13,19)20/h7-8,10,13H,2-3,6,9,11H2,1H3,(H,21,23)