1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-benzyl-thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-benzylthiourea Traditional Name: 1-benzyl-3-[(E)-piperonylideneamino]thiourea Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c22-16(17-9-12-4-2-1-3-5-12)19-18-10-13-6-7-14-15(8-13)21-11-20-14/h1-8,10H,9,11H2,(H2,17,19,22)/b18-10+