1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-nitrophenyl)thiourea Traditional Name: 1-(4-methyl-3-nitro-phenyl)-3-piperonyl-thiourea Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10-2-4-12(7-13(10)19(20)21)18-16(24)17-8-11-3-5-14-15(6-11)23-9-22-14/h2-7H,8-9H2,1H3,(H2,17,18,24)