2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pent-4-ynamide

Systemtic Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pent-4-ynamide Openeye Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pent-4-ynamide CAS Name: 2-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pent-4-ynamide Traditional Name: 2-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-4-6-7-8-9-13-27-21-24-17-12-11-16(14-19(17)28-21)23-20(26)18(10-5-2)22-15(3)25/h2,11-12,14,18H,4,6,9-10,13H2,1,3H3,(H,22,25)(H,23,26)