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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylcarbamothioylamino)thiourea CAS Name: 1-[[anilino(sulfanylidene)methyl]amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylcarbamothioylamino)thiourea Traditional Name: 1-phenyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S2/c23-15(19-20-16(24)18-12-4-2-1-3-5-12)17-9-11-6-7-13-14(8-11)22-10-21-13/h1-8H,9-10H2,(H2,17,19,23)(H2,18,20,24)