1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C17H16FN5OS2 MolecularWeight: 389.470243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN5OS2/c18-12-7-5-11(6-8-12)9-19-16(25)23-22-15(24)10-20-17-21-13-3-1-2-4-14(13)26-17/h1-8H,9-10H2,(H,20,21)(H,22,24)(H2,19,23,25)