N-[5-chloranyl-2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[5-chloranyl-2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[5-chloro-2-[(isopropylcarbamothioylamino)carbamoyl]phenyl]-4-fluoro-benzamide CAS Name: N-[5-chloro-2-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[5-chloro-2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]-4-fluorobenzamide Traditional Name: N-[5-chloro-2-[(isopropylthiocarbamoylamino)carbamoyl]phenyl]-4-fluoro-benzamide Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18ClFN4O2S/c1-10(2)21-18(27)24-23-17(26)14-8-5-12(19)9-15(14)22-16(25)11-3-6-13(20)7-4-11/h3-10H,1-2H3,(H,22,25)(H,23,26)(H2,21,24,27)