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

Systemtic Name: methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C21H22BrClN4O3S MolecularWeight: 525.84638

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrClN4O3S/c1-26-7-9-27(10-8-26)18-6-3-13(20(29)30-2)11-17(18)24-21(31)25-19(28)15-12-14(22)4-5-16(15)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,28,31)