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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S2 MolecularWeight: 582.57328

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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=CC(=C(C=C3)OCCC(C)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

InChI

InChI=1S/C25H32BrN3O4S2/c1-17(2)12-15-33-23-9-4-19(16-22(23)26)24(30)28-25(34)27-20-5-7-21(8-6-20)35(31,32)29-13-10-18(3)11-14-29/h4-9,16-18H,10-15H2,1-3H3,(H2,27,28,30,34)