1-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[5-(1,3-benzothiazol-2-yl)-1-oxopentyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-(4-fluorobenzyl)thiourea Formula: C20H21FN4OS2 MolecularWeight: 416.535343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4OS2/c21-15-11-9-14(10-12-15)13-22-20(27)25-24-18(26)7-3-4-8-19-23-16-5-1-2-6-17(16)28-19/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,24,26)(H2,22,25,27)