1-[(4-chlorophenyl)methyl]-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-4-27-17-11-15(12-18(28-5-2)19(17)29-6-3)20(26)24-25-21(30)23-13-14-7-9-16(22)10-8-14/h7-12H,4-6,13H2,1-3H3,(H,24,26)(H2,23,25,30)