3-bromanyl-N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-isopentyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-(3-methylbutyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-isoamyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]benzamide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-12(2)7-8-22(17(24)14-5-4-6-15(19)9-14)11-16(23)21-18-20-10-13(3)25-18/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,20,21,23)