methyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H25BrN4O4S/c1-26-8-10-27(11-9-26)18-6-4-14(21(29)31-3)12-17(18)24-22(32)25-20(28)16-13-15(23)5-7-19(16)30-2/h4-7,12-13H,8-11H2,1-3H3,(H2,24,25,28,32)