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

Systemtic Name: N-(2-diethylaminoethyl)-4-(hexanoylcarbamothioylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-(hexanoylcarbamothioylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-(hexanoylcarbamothioylamino)benzamide Traditional Name: 4-(caproylthiocarbamoylamino)-N-(2-diethylaminoethyl)benzamide Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2S/c1-4-7-8-9-18(25)23-20(27)22-17-12-10-16(11-13-17)19(26)21-14-15-24(5-2)6-3/h10-13H,4-9,14-15H2,1-3H3,(H,21,26)(H2,22,23,25,27)