1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(phenylmethyl)-1-propan-2-yl-thiourea

Systemtic Name: 1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(phenylmethyl)-1-propan-2-yl-thiourea Openeye Name: 3-benzyl-1-isopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea CAS Name: 1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(phenylmethyl)-1-propan-2-ylthiourea IUPAC Name: 3-benzyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-ylthiourea Traditional Name: 3-benzyl-1-isopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-14(2)24(20(29)21-12-15-7-4-3-5-8-15)13-18-22-23-19(28-18)16-9-6-10-17(11-16)25(26)27/h3-11,14H,12-13H2,1-2H3,(H,21,29)