1-[(4-tert-butylphenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-18(2,3)12-6-4-11(5-7-12)16(24)21-22-17(27)20-15-10-13(23(25)26)8-9-14(15)19/h4-10H,1-3H3,(H,21,24)(H2,20,22,27)