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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[5-[(4-cyanophenyl)methyl]thiazol-2-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[5-[(4-cyanophenyl)methyl]-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-cyanobenzyl)thiazol-2-yl]propionamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N3O3S/c22-11-16-3-1-14(2-4-16)9-17-12-23-21(28-17)24-20(25)8-6-15-5-7-18-19(10-15)27-13-26-18/h1-5,7,10,12H,6,8-9,13H2,(H,23,24,25)