N-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thiazol-2-yl]-piperonylamide Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C20H16BrN3O4S/c1-11-6-13(3-4-15(11)21)22-18(25)8-14-9-29-20(23-14)24-19(26)12-2-5-16-17(7-12)28-10-27-16/h2-7,9H,8,10H2,1H3,(H,22,25)(H,23,24,26)