1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-nitrobenzoyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-nitrobenzoyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(3-nitrobenzoyl)amino]thiourea Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N4O5S/c1-26-15-7-6-12(10-16(15)27-2)8-9-19-18(28)21-20-17(23)13-4-3-5-14(11-13)22(24)25/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)(H2,19,21,28)