N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H29ClN4O3S MolecularWeight: 537.07286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O3S/c1-2-19-36-25-13-5-20(6-14-25)26(34)31-28(37)30-23-9-11-24(12-10-23)32-15-17-33(18-16-32)27(35)21-3-7-22(29)8-4-21/h3-14H,2,15-19H2,1H3,(H2,30,31,34,37)