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

Systemtic Name: 3-chloranyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H21ClN4O3S3 MolecularWeight: 509.06444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S3/c1-25-10-12-26(13-11-25)32(28,29)15-8-6-14(7-9-15)23-21(30)24-20(27)19-18(22)16-4-2-3-5-17(16)31-19/h2-9H,10-13H2,1H3,(H2,23,24,27,30)