3-(4-acetamidophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: 3-(4-acetamidophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: 3-(4-acetamidophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: 3-(4-acetamidophenyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: 3-(4-acetamidophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: 3-(4-acetamidophenyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acrylamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H25N3O2S2/c1-3-4-5-6-7-16-31-25-28-22-14-13-21(17-23(22)32-25)27-24(30)15-10-19-8-11-20(12-9-19)26-18(2)29/h8-15,17H,3-4,7,16H2,1-2H3,(H,26,29)(H,27,30)