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

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C16H13ClFN3O3S MolecularWeight: 381.809123

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3O3S/c17-12-5-10(6-13-14(12)24-8-23-13)15(22)20-21-16(25)19-7-9-1-3-11(18)4-2-9/h1-6H,7-8H2,(H,20,22)(H2,19,21,25)