1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-11(13-3-2-4-14(8-13)21(22)23)19-20-17(26)18-9-12-5-6-15-16(7-12)25-10-24-15/h2-8H,9-10H2,1H3,(H2,18,20,26)/b19-11-