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

Systemtic Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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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=CC=C2OC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C24H30N4O3S/c1-4-28(5-2)17-16-25-23(30)19-10-13-20(14-11-19)26-24(32)27-22(29)15-12-18-8-6-7-9-21(18)31-3/h6-15H,4-5,16-17H2,1-3H3,(H,25,30)(H2,26,27,29,32)/b15-12+