1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-(4-fluorophenyl)thiourea Formula: C15H11ClFN3O3S MolecularWeight: 367.782543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClFN3O3S/c16-11-5-8(6-12-13(11)23-7-22-12)14(21)19-20-15(24)18-10-3-1-9(17)2-4-10/h1-6H,7H2,(H,19,21)(H2,18,20,24)