1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(benzotriazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(benzotriazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(benzotriazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(benzotriazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N6O3S/c24-16(9-23-13-4-2-1-3-12(13)19-22-23)20-21-17(27)18-8-11-5-6-14-15(7-11)26-10-25-14/h1-7H,8-10H2,(H,20,24)(H2,18,21,27)