methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(4-propoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C24H30N4O4S/c1-4-15-32-19-8-5-17(6-9-19)22(29)26-24(33)25-20-16-18(23(30)31-3)7-10-21(20)28-13-11-27(2)12-14-28/h5-10,16H,4,11-15H2,1-3H3,(H2,25,26,29,33)