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

Systemtic Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-3-25(4-2)14-13-22-20(27)16-7-9-17(10-8-16)23-21(29)24-19(26)12-11-18-6-5-15-28-18/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,26,29)/b12-11+