1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Formula: C17H14ClFN4O3S MolecularWeight: 408.834463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)F

InChI

InChI=1S/C17H14ClFN4O3S/c18-10-5-6-13-14(9-10)26-17(25)23(13)8-7-15(24)21-22-16(27)20-12-4-2-1-3-11(12)19/h1-6,9H,7-8H2,(H,21,24)(H2,20,22,27)