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

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethoxy]-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethoxy]-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[2-(3-cyanoanilino)-2-oxoethoxy]-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethoxy]-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[2-(3-cyanoanilino)-2-keto-ethoxy]-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H24N4O3S2/c1-2-3-4-5-6-12-33-25-29-21-11-10-20(14-22(21)34-25)28-24(31)17-32-16-23(30)27-19-9-7-8-18(13-19)15-26/h7-11,13-14H,2-3,6,12,16-17H2,1H3,(H,27,30)(H,28,31)