4-ethyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: 4-ethyl-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4OS/c1-2-21-8-10-23(11-9-21)26(32)29-27(33)28-24-12-14-25(15-13-24)31-18-16-30(17-19-31)20-22-6-4-3-5-7-22/h3-15H,2,16-20H2,1H3,(H2,28,29,32,33)