N-(2-diethylaminoethyl)-4-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-(octanoylcarbamothioylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-(octanoylcarbamothioylamino)benzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-(2-diethylaminoethyl)benzamide Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC

InChI

InChI=1S/C22H36N4O2S/c1-4-7-8-9-10-11-20(27)25-22(29)24-19-14-12-18(13-15-19)21(28)23-16-17-26(5-2)6-3/h12-15H,4-11,16-17H2,1-3H3,(H,23,28)(H2,24,25,27,29)