1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(2-fluorophenyl)thiourea Formula: C17H16FN5O3S MolecularWeight: 389.404043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O3S/c18-12-3-1-2-4-13(12)20-17(27)22-21-16(24)10-5-8-14(19-11-6-7-11)15(9-10)23(25)26/h1-5,8-9,11,19H,6-7H2,(H,21,24)(H2,20,22,27)