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

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-propionylpiperazino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C19H21ClN4O2S2/c1-2-17(25)24-9-7-23(8-10-24)15-6-5-13(12-14(15)20)21-19(27)22-18(26)16-4-3-11-28-16/h3-6,11-12H,2,7-10H2,1H3,(H2,21,22,26,27)