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

Systemtic Name: 3-bromanyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H27BrN4O4S2 MolecularWeight: 555.50818

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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)N3CCN(CC3)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C22H27BrN4O4S2/c1-3-14-31-20-9-4-16(15-19(20)23)21(28)25-22(32)24-17-5-7-18(8-6-17)33(29,30)27-12-10-26(2)11-13-27/h4-9,15H,3,10-14H2,1-2H3,(H2,24,25,28,32)