1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methyl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methyl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methyl-3-nitro-benzoyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methyl-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(4-methyl-3-nitro-benzoyl)amino]thiourea Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-12-4-6-14(11-15(12)23(25)26)18(24)21-22-19(29)20-9-8-13-5-7-16(27-2)17(10-13)28-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H2,20,22,29)