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

Systemtic Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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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)SCC3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C22H21N3O3S2/c1-4-7-18(23-14(2)26)21(27)24-16-10-11-17-20(12-16)30-22(25-17)29-13-15-8-5-6-9-19(15)28-3/h1,5-6,8-12,18H,7,13H2,2-3H3,(H,23,26)(H,24,27)