2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 2-[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 2-[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 2-[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]-N-piperonyl-propionamide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)N

InChI

InChI=1S/C17H19N3O4S2/c1-9-14(6-15(18)21)26-17(20-9)25-10(2)16(22)19-7-11-3-4-12-13(5-11)24-8-23-12/h3-5,10H,6-8H2,1-2H3,(H2,18,21)(H,19,22)