1-(4-nitrophenyl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c1-25-13-8-10(9-14(26-2)15(13)27-3)16(22)19-20-17(28)18-11-4-6-12(7-5-11)21(23)24/h4-9H,1-3H3,(H,19,22)(H2,18,20,28)