N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25ClN4O2S/c1-2-22(31)29-13-15-30(16-14-29)23-20(26)11-6-12-21(23)27-25(33)28-24(32)19-10-5-8-17-7-3-4-9-18(17)19/h3-12H,2,13-16H2,1H3,(H2,27,28,32,33)