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

Systemtic Name: 1-(3-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-(3-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(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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