1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-chloranyl-2-methoxy-phenyl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-chloranyl-2-methoxy-phenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-chloro-2-methoxy-phenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(5-chloro-2-methoxy-phenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-11(14-8-13(19)4-6-15(14)23-2)21-22-18(26)20-9-12-3-5-16-17(7-12)25-10-24-16/h3-8H,9-10H2,1-2H3,(H2,20,22,26)/b21-11-