2-[(2-azanyl-4-methyl-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoic acid Openeye Name: 2-[(2-amino-4-methyl-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 2-[[(2-amino-4-methylanilino)-sulfanylidenemethyl]amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoic acid IUPAC Name: 2-[(2-amino-4-methylphenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoic acid Traditional Name: 2-[(2-amino-4-methyl-phenyl)thiocarbamoylamino]-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=S)NC2=C(C=C(C=C2)C)N

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=S)NC2=C(C=C(C=C2)C)N

InChI

InChI=1S/C23H29N3O5S/c1-3-30-21(27)5-4-12-31-17-9-7-16(8-10-17)14-20(22(28)29)26-23(32)25-19-11-6-15(2)13-18(19)24/h6-11,13,20H,3-5,12,14,24H2,1-2H3,(H,28,29)(H2,25,26,32)