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

Systemtic Name: methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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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=CO3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H24N4O4S/c1-24-9-11-25(12-10-24)18-7-5-15(20(27)28-2)14-17(18)22-21(30)23-19(26)8-6-16-4-3-13-29-16/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,26,30)/b8-6+