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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[[4-(methylthio)phenyl]methyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[4-(methylthio)benzyl]thiourea Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2S2/c1-19(10-11-3-6-13(24-2)7-4-11)16(23)18-15-9-12(20(21)22)5-8-14(15)17/h3-9H,10H2,1-2H3,(H,18,23)