1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-ylcarbonylamino)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthen-9-ylcarbonylamino)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthene-9-carbonylamino)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[oxo(9H-xanthen-9-yl)methyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-xanthene-9-carbonylamino)thiourea Traditional Name: 1-homoveratryl-3-(9H-xanthene-9-carbonylamino)thiourea Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)OC

InChI

InChI=1S/C25H25N3O4S/c1-30-21-12-11-16(15-22(21)31-2)13-14-26-25(33)28-27-24(29)23-17-7-3-5-9-19(17)32-20-10-6-4-8-18(20)23/h3-12,15,23H,13-14H2,1-2H3,(H,27,29)(H2,26,28,33)