N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O2S/c1-2-4-20(27)24-18-5-3-6-19(10-18)25-22(29)26-21(28)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3,5-6,10,15-17H,2,4,7-9,11-14H2,1H3,(H,24,27)(H2,25,26,28,29)