N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H23N3O3S2/c1-2-3-4-5-8-15-31-23-26-18-12-11-17(16-21(18)32-23)25-22(28)13-14-27-19-9-6-7-10-20(19)30-24(27)29/h6-7,9-12,16H,2-3,8,13-15H2,1H3,(H,25,28)