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

Systemtic Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethoxy]benzamide Openeye Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethoxy]benzamide CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethoxy]benzamide IUPAC Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]benzamide Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethoxy]benzamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S2/c1-2-3-4-5-9-14-30-23-25-19-13-12-18(15-20(19)31-23)24-21(27)16-29-26-22(28)17-10-7-6-8-11-17/h6-8,10-13,15H,2-3,9,14,16H2,1H3,(H,24,27)(H,26,28)