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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-piperonyl-thiourea Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5O3S2/c24-16(9-20-18-21-12-3-1-2-4-15(12)28-18)22-23-17(27)19-8-11-5-6-13-14(7-11)26-10-25-13/h1-7H,8-10H2,(H,20,21)(H,22,24)(H2,19,23,27)