4-(octanoylcarbamothioylamino)-N,N-dipropyl-benzamide

Systemtic Name: 4-(octanoylcarbamothioylamino)-N,N-dipropyl-benzamide Openeye Name: 4-(octanoylcarbamothioylamino)-N,N-dipropyl-benzamide CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 4-(octanoylcarbamothioylamino)-N,N-dipropylbenzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N,N-dipropyl-benzamide Formula: C22H35N3O2S MolecularWeight: 405.5972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CCC)CCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CCC)CCC

InChI

InChI=1S/C22H35N3O2S/c1-4-7-8-9-10-11-20(26)24-22(28)23-19-14-12-18(13-15-19)21(27)25(16-5-2)17-6-3/h12-15H,4-11,16-17H2,1-3H3,(H2,23,24,26,28)