propyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(isovalerylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C19H27N3O4S/c1-4-11-26-18(25)10-9-16(23)22-19(27)21-15-7-5-14(6-8-15)20-17(24)12-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,20,24)(H2,21,22,23,27)