1-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenylazanylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenylazanylphenyl)thiourea Openeye Name: 1-(3-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-(3-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-(3-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-(3-anilinophenyl)-3-piperonyl-thiourea Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c27-21(22-13-15-9-10-19-20(11-15)26-14-25-19)24-18-8-4-7-17(12-18)23-16-5-2-1-3-6-16/h1-12,23H,13-14H2,(H2,22,24,27)