1-(4-chloranyl-3-nitro-phenyl)-3-(9H-xanthen-9-ylcarbonylamino)thiourea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-(9H-xanthen-9-ylcarbonylamino)thiourea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-(9H-xanthene-9-carbonylamino)thiourea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]thiourea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-(9H-xanthene-9-carbonylamino)thiourea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-(9H-xanthene-9-carbonylamino)thiourea Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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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(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O4S/c22-15-10-9-12(11-16(15)26(28)29)23-21(31)25-24-20(27)19-13-5-1-3-7-17(13)30-18-8-4-2-6-14(18)19/h1-11,19H,(H,24,27)(H2,23,25,31)