N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C26H34N4O2S MolecularWeight: 466.63876

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2S/c1-4-20-6-8-21(9-7-20)25(32)30-17-15-29(16-18-30)23-12-10-22(11-13-23)27-26(33)28-24(31)14-5-19(2)3/h6-13,19H,4-5,14-18H2,1-3H3,(H2,27,28,31,33)