N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-[(4-cyanophenyl)methylthio]acetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[(4-cyanobenzyl)thio]acetamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CSCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CSCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N3O3S2/c21-8-13-1-3-14(4-2-13)9-27-11-19(24)23-20-22-16(10-28-20)15-5-6-17-18(7-15)26-12-25-17/h1-7,10H,9,11-12H2,(H,22,23,24)