methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4S/c1-30-14-16-31(17-15-30)23-11-8-20(26(33)34-2)18-22(23)28-27(36)29-25(32)13-10-21-9-12-24(35-21)19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H2,28,29,32,36)/b13-10+