3-chloranyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-26-10-12-27(13-11-26)21(29)14-6-2-4-8-16(14)24-22(30)25-20(28)19-18(23)15-7-3-5-9-17(15)31-19/h2-9H,10-13H2,1H3,(H2,24,25,28,30)