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

Systemtic Name: 3-methoxy-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c1-32-24-9-5-8-21(18-24)25(31)28-26(33)27-22-10-12-23(13-11-22)30-16-14-29(15-17-30)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H2,27,28,31,33)