1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(4-mesylphenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O4S2/c1-12(14-4-6-15(7-5-14)27(2,22)23)20-21-18(26)19-10-13-3-8-16-17(9-13)25-11-24-16/h3-9H,10-11H2,1-2H3,(H2,19,21,26)/b20-12-