N-(1,3-benzothiazol-2-yl)-2-[(4-cyanophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-cyanophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-cyanophenyl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-cyanophenyl)methylthio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-cyanophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-cyanobenzyl)thio]-N-(tetrahydrofurfuryl)acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O2S2/c23-12-16-7-9-17(10-8-16)14-28-15-21(26)25(13-18-4-3-11-27-18)22-24-19-5-1-2-6-20(19)29-22/h1-2,5-10,18H,3-4,11,13-15H2