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

Systemtic Name: methyl 3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-methoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 4-(4-methylpiperazino)-3-(p-anisoylthiocarbamoylamino)benzoic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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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=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-25-10-12-26(13-11-25)19-9-6-16(21(28)30-3)14-18(19)23-22(31)24-20(27)15-4-7-17(29-2)8-5-15/h4-9,14H,10-13H2,1-3H3,(H2,23,24,27,31)