2-[(2-azanyl-4-methoxy-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate

Systemtic Name: 2-[(2-azanyl-4-methoxy-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate Openeye Name: 2-[(2-amino-4-methoxy-phenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoate CAS Name: 2-[[(2-amino-4-methoxyanilino)-sulfanylidenemethyl]amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate IUPAC Name: 2-[(2-amino-4-methoxyphenyl)carbamothioylamino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate Traditional Name: 2-[(2-amino-4-methoxy-phenyl)thiocarbamoylamino]-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionate Formula: C23H28N3O6S- MolecularWeight: 474.54992

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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)OC)N

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=S)NC2=C(C=C(C=C2)OC)N

InChI

InChI=1S/C23H29N3O6S/c1-3-31-21(27)5-4-12-32-16-8-6-15(7-9-16)13-20(22(28)29)26-23(33)25-19-11-10-17(30-2)14-18(19)24/h6-11,14,20H,3-5,12-13,24H2,1-2H3,(H,28,29)(H2,25,26,33)/p-1