1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-bromanylthiophen-2-yl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-bromanylthiophen-2-yl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-bromo-2-thienyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-bromo-2-thiophenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(5-bromo-2-thienyl)ethylideneamino]-3-piperonyl-thiourea Formula: C15H14BrN3O2S2 MolecularWeight: 412.32456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(S3)Br

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC=C(S3)Br

InChI

InChI=1S/C15H14BrN3O2S2/c1-9(13-4-5-14(16)23-13)18-19-15(22)17-7-10-2-3-11-12(6-10)21-8-20-11/h2-6H,7-8H2,1H3,(H2,17,19,22)/b18-9-