N-ethyl-4-(octanoylcarbamothioylamino)-N-phenyl-benzamide

Systemtic Name: N-ethyl-4-(octanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: N-ethyl-4-(octanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: N-ethyl-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-4-(octanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-ethyl-N-phenyl-benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC=C2

InChI

InChI=1S/C24H31N3O2S/c1-3-5-6-7-11-14-22(28)26-24(30)25-20-17-15-19(16-18-20)23(29)27(4-2)21-12-9-8-10-13-21/h8-10,12-13,15-18H,3-7,11,14H2,1-2H3,(H2,25,26,28,30)