1-(3-nitrophenyl)-3-(9H-xanthen-9-ylcarbonylamino)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(9H-xanthen-9-ylcarbonylamino)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(9H-xanthene-9-carbonylamino)thiourea CAS Name: 1-(3-nitrophenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(9H-xanthene-9-carbonylamino)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(9H-xanthene-9-carbonylamino)thiourea Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NNC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NNC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c26-20(23-24-21(30)22-13-6-5-7-14(12-13)25(27)28)19-15-8-1-3-10-17(15)29-18-11-4-2-9-16(18)19/h1-12,19H,(H,23,26)(H2,22,24,30)