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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C24H31BrN4O4S2 MolecularWeight: 583.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C24H31BrN4O4S2/c1-17(2)10-15-33-22-9-4-18(16-21(22)25)23(30)27-24(34)26-19-5-7-20(8-6-19)35(31,32)29-13-11-28(3)12-14-29/h4-9,16-17H,10-15H2,1-3H3,(H2,26,27,30,34)