N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-3-methyl-benzamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S2/c1-3-4-5-6-7-13-30-24-27-20-12-11-19(15-21(20)31-24)26-22(28)16-25-23(29)18-10-8-9-17(2)14-18/h8-12,14-15H,3-4,7,13,16H2,1-2H3,(H,25,29)(H,26,28)