1-(3-chloranyl-2-methyl-phenyl)-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Formula: C21H26ClN3O4S MolecularWeight: 451.96684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C21H26ClN3O4S/c1-5-27-17-11-14(12-18(28-6-2)19(17)29-7-3)20(26)24-25-21(30)23-16-10-8-9-15(22)13(16)4/h8-12H,5-7H2,1-4H3,(H,24,26)(H2,23,25,30)