N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-[[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=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-2-3-20(27)24-18-4-6-19(7-5-18)25-22(29)26-21(28)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,2-3,8-14H2,1H3,(H,24,27)(H2,25,26,28,29)