1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S2/c17-11-2-4-12(5-3-11)19-16(25)21-20-15(24)18-8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H2,18,20,24)(H2,19,21,25)