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

Systemtic Name: N-methyl-4-(octanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: N-methyl-4-(octanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: N-methyl-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-methyl-4-(octanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-methyl-N-phenyl-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-3-4-5-6-10-13-21(27)25-23(29)24-19-16-14-18(15-17-19)22(28)26(2)20-11-8-7-9-12-20/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H2,24,25,27,29)