1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-benzyl-thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-benzylthiourea Traditional Name: 1-benzyl-3-(piperonyloylamino)thiourea Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c20-15(12-6-7-13-14(8-12)22-10-21-13)18-19-16(23)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)(H2,17,19,23)