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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-chlorophenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-chlorophenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-chlorophenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-chlorophenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C17H16ClN3O2S MolecularWeight: 361.84584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S/c1-11(13-3-2-4-14(18)8-13)20-21-17(24)19-9-12-5-6-15-16(7-12)23-10-22-15/h2-8H,9-10H2,1H3,(H2,19,21,24)/b20-11-