1-(4-butylphenyl)-3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-chloro-4-nitro-benzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-chloro-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-chloro-4-nitro-benzoyl)amino]thiourea Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-2-3-4-12-5-7-13(8-6-12)20-18(27)22-21-17(24)15-10-9-14(23(25)26)11-16(15)19/h5-11H,2-4H2,1H3,(H,21,24)(H2,20,22,27)