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

Systemtic Name: 3-chloranyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O3S3 MolecularWeight: 508.07638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O3S3/c1-14-10-12-26(13-11-14)32(28,29)16-8-6-15(7-9-16)24-22(30)25-21(27)20-19(23)17-4-2-3-5-18(17)31-20/h2-9,14H,10-13H2,1H3,(H2,24,25,27,30)