N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C23H21ClN4O2S2 MolecularWeight: 485.02144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O2S2/c24-17-5-3-16(4-6-17)22(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)25-23(31)26-21(29)20-2-1-15-32-20/h1-10,15H,11-14H2,(H2,25,26,29,31)