1-(3-methylphenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(m-tolyl)thiourea CAS Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(m-tolyl)thiourea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-11-3-2-4-13(9-11)18-16(23)17-10-15(20)12-5-7-14(8-6-12)19(21)22/h2-9,15,20H,10H2,1H3,(H2,17,18,23)/t15-/m1/s1