N-[2-methyl-5-(octanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-5-(octanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-5-(octanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-5-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-5-(octanoylcarbamothioylamino)phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(caprylylthiocarbamoylamino)-2-methyl-phenyl]cyclopropanecarboxamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)C)NC(=O)C2CC2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)C)NC(=O)C2CC2

InChI

InChI=1S/C20H29N3O2S/c1-3-4-5-6-7-8-18(24)23-20(26)21-16-12-9-14(2)17(13-16)22-19(25)15-10-11-15/h9,12-13,15H,3-8,10-11H2,1-2H3,(H,22,25)(H2,21,23,24,26)