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

Systemtic Name: 2-acetamido-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C20H19N3O2S3 MolecularWeight: 429.57876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

Isomeric SMILES

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

InChI

InChI=1S/C20H19N3O2S3/c1-3-4-17(21-13(2)24)19(25)22-15-5-6-16-18(11-15)28-20(23-16)27-10-8-14-7-9-26-12-14/h1,5-7,9,11-12,17H,4,8,10H2,2H3,(H,21,24)(H,22,25)