1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-piperonyl-thiourea Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O5S/c21-14(12-2-4-13(5-3-12)20(22)23)9-19-17(26)18-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,14,21H,8-10H2,(H2,18,19,26)/t14-/m0/s1