N-(4-bromanyl-3-methyl-phenyl)-2-[2-ethoxy-4-(4-methylpiperazin-1-yl)carbothioyl-phenoxy]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[2-ethoxy-4-(4-methylpiperazin-1-yl)carbothioyl-phenoxy]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[2-ethoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[2-ethoxy-4-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[2-ethoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[2-ethoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C)OCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C)OCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C23H28BrN3O3S/c1-4-29-21-14-17(23(31)27-11-9-26(3)10-12-27)5-8-20(21)30-15-22(28)25-18-6-7-19(24)16(2)13-18/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,25,28)