1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[2-(4-methylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[2-(4-methylphenoxy)propanoylamino]thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-[2-(4-methylphenoxy)propanoylamino]thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-[2-(4-methylphenoxy)propanoylamino]thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[2-(4-methylphenoxy)propanoylamino]thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H21N3O4S/c1-12-4-7-16(8-5-12)27-14(3)20(26)23-24-21(29)22-15-6-9-17-13(2)10-19(25)28-18(17)11-15/h4-11,14H,1-3H3,(H,23,26)(H2,22,24,29)