3-(2-chloranyl-5-nitro-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-ethylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[4-(dimethylamino)benzyl]-1-ethyl-thiourea Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N(C)C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N(C)C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-4-22(12-13-5-7-14(8-6-13)21(2)3)18(26)20-17-11-15(23(24)25)9-10-16(17)19/h5-11H,4,12H2,1-3H3,(H,20,26)