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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C17H16FN5OS2/c1-10-6-7-11(8-12(10)18)20-16(25)23-22-15(24)9-19-17-21-13-4-2-3-5-14(13)26-17/h2-8H,9H2,1H3,(H,19,21)(H,22,24)(H2,20,23,25)