methyl 3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C23H28N4O4S/c1-16-6-4-5-7-20(16)31-15-21(28)25-23(32)24-18-14-17(22(29)30-3)8-9-19(18)27-12-10-26(2)11-13-27/h4-9,14H,10-13,15H2,1-3H3,(H2,24,25,28,32)