3-(4-nitrophenyl)-1-phenyl-1-propan-2-yl-thiourea

Systemtic Name: 3-(4-nitrophenyl)-1-phenyl-1-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-(4-nitrophenyl)-1-phenyl-thiourea CAS Name: 3-(4-nitrophenyl)-1-phenyl-1-propan-2-ylthiourea IUPAC Name: 3-(4-nitrophenyl)-1-phenyl-1-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-(4-nitrophenyl)-1-phenyl-thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-12(2)18(14-6-4-3-5-7-14)16(22)17-13-8-10-15(11-9-13)19(20)21/h3-12H,1-2H3,(H,17,22)