3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]-3-piperonyl-thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O4S/c1-12(14-4-3-5-15(9-14)21(22)23)20(2)18(26)19-10-13-6-7-16-17(8-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,19,26)/t12-/m1/s1