2-diethylaminoethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C21H25N3O4S/c1-3-24(4-2)13-15-28-20(26)16-7-9-17(10-8-16)22-21(29)23-19(25)12-11-18-6-5-14-27-18/h5-12,14H,3-4,13,15H2,1-2H3,(H2,22,23,25,29)/b12-11+