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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-chloranyl-2-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(4-chloro-2-nitro-benzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(4-chloro-2-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(4-chloro-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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