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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-chloro-5-nitrophenyl)-1-methylthiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-chloro-5-nitrophenyl)-1-methylthiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(2-chloro-5-nitro-phenyl)-1-methyl-thiourea Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2S/c1-19(2,3)14-7-5-13(6-8-14)12-22(4)18(26)21-17-11-15(23(24)25)9-10-16(17)20/h5-11H,12H2,1-4H3,(H,21,26)