N-[4-[(cyclohexylcarbamothioylamino)carbamoyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[(cyclohexylcarbamothioylamino)carbamoyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[(cyclohexylcarbamothioylamino)carbamoyl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[(cyclohexylcarbamothioylamino)carbamoyl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[(cyclohexylthiocarbamoylamino)carbamoyl]phenyl]-4-fluoro-benzamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2S/c22-16-10-6-14(7-11-16)19(27)23-18-12-8-15(9-13-18)20(28)25-26-21(29)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,23,27)(H,25,28)(H2,24,26,29)