1-(3-chloranyl-4-methyl-phenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-10-2-5-12(8-14(10)17)19-16(24)18-9-15(21)11-3-6-13(7-4-11)20(22)23/h2-8,15,21H,9H2,1H3,(H2,18,19,24)/t15-/m1/s1