3-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C23H28BrN3O4S2 MolecularWeight: 554.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)Br

InChI

InChI=1S/C23H28BrN3O4S2/c1-3-14-31-21-9-4-17(15-20(21)24)22(28)26-23(32)25-18-5-7-19(8-6-18)33(29,30)27-12-10-16(2)11-13-27/h4-9,15-16H,3,10-14H2,1-2H3,(H2,25,26,28,32)