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

Systemtic Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]-N-(2-diethylaminoethyl)benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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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=C2Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-3-28(4-2)16-15-25-22(30)18-9-12-19(13-10-18)26-23(31)27-21(29)14-11-17-7-5-6-8-20(17)24/h5-14H,3-4,15-16H2,1-2H3,(H,25,30)(H2,26,27,29,31)/b14-11+