N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]caprylamide Formula: C20H31N3O2S MolecularWeight: 377.54404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-4-5-6-7-8-12-18(24)22-20(26)21-17-11-9-10-16(15-17)13-14-19(25)23(2)3/h9-11,15H,4-8,12-14H2,1-3H3,(H2,21,22,24,26)