1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C16H15FN6OS MolecularWeight: 358.393303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN6OS/c17-12-7-5-11(6-8-12)9-18-16(25)21-20-15(24)10-23-14-4-2-1-3-13(14)19-22-23/h1-8H,9-10H2,(H,20,24)(H2,18,21,25)