methyl 4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20BrN3O3S MolecularWeight: 402.3066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20BrN3O3S/c1-10-8-11(16)5-6-12(10)19-13(20)9-18-15(23)17-7-3-4-14(21)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,20)(H2,17,18,23)