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

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C18H18FN5O3S MolecularWeight: 403.430623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN5O3S/c19-13-4-1-11(2-5-13)10-20-18(28)23-22-17(25)12-3-8-15(21-14-6-7-14)16(9-12)24(26)27/h1-5,8-9,14,21H,6-7,10H2,(H,22,25)(H2,20,23,28)