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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]thiourea Traditional Name: 1-[(2-indoxazen-3-ylacetyl)amino]-3-piperonyl-thiourea Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C18H16N4O4S/c23-17(8-13-12-3-1-2-4-14(12)26-22-13)20-21-18(27)19-9-11-5-6-15-16(7-11)25-10-24-15/h1-7H,8-10H2,(H,20,23)(H2,19,21,27)