N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC(=C4)C

InChI

InChI=1S/C29H32N4O3S/c1-3-22-7-9-23(10-8-22)28(35)33-17-15-32(16-18-33)25-13-11-24(12-14-25)30-29(37)31-27(34)20-36-26-6-4-5-21(2)19-26/h4-14,19H,3,15-18,20H2,1-2H3,(H2,30,31,34,37)