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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-homoveratryl-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiourea Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N4O5S2/c1-27-16-8-3-13(11-17(16)28-2)9-10-20-19(29)22-21-18(24)12-30-15-6-4-14(5-7-15)23(25)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H2,20,22,29)