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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-chlorophenyl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-chlorophenyl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-chlorophenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-chlorophenyl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-chlorophenyl)acetyl]amino]-3-piperonyl-thiourea Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN3O3S/c18-13-4-2-1-3-12(13)8-16(22)20-21-17(25)19-9-11-5-6-14-15(7-11)24-10-23-14/h1-7H,8-10H2,(H,20,22)(H2,19,21,25)