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

Systemtic Name: 3-chloranyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H23ClN4O2S2/c1-2-19(29)28-13-11-27(12-14-28)16-9-7-15(8-10-16)25-23(31)26-22(30)21-20(24)17-5-3-4-6-18(17)32-21/h3-10H,2,11-14H2,1H3,(H2,25,26,30,31)