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

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-2-20-34-26-14-8-23(9-15-26)27(33)30-28(35)29-24-10-12-25(13-11-24)32-18-16-31(17-19-32)21-22-6-4-3-5-7-22/h3-15H,2,16-21H2,1H3,(H2,29,30,33,35)