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

Systemtic Name: 1-(4-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea Formula: C17H16ClN5O3S MolecularWeight: 405.85864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O3S/c18-11-2-4-13(5-3-11)20-17(27)22-21-16(24)10-1-8-14(19-12-6-7-12)15(9-10)23(25)26/h1-5,8-9,12,19H,6-7H2,(H,21,24)(H2,20,22,27)