2-acetamido-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide

Systemtic Name: 2-acetamido-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C19H23N3O2S3 MolecularWeight: 421.59982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC#C)NC(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC#C)NC(=O)C

InChI

InChI=1S/C19H23N3O2S3/c1-5-6-16(20-13(4)23)18(24)21-14-7-8-15-17(11-14)27-19(22-15)26-10-9-25-12(2)3/h1,7-8,11-12,16H,6,9-10H2,2-4H3,(H,20,23)(H,21,24)