N-(3-methoxypropyl)-4-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3-methoxypropyl)-4-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(3-methoxypropyl)-4-(octanoylcarbamothioylamino)benzamide CAS Name: N-(3-methoxypropyl)-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-(octanoylcarbamothioylamino)benzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-(3-methoxypropyl)benzamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-3-4-5-6-7-9-18(24)23-20(27)22-17-12-10-16(11-13-17)19(25)21-14-8-15-26-2/h10-13H,3-9,14-15H2,1-2H3,(H,21,25)(H2,22,23,24,27)