(E)-7-[7-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-3-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

Systemtic Name: (E)-7-[7-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-3-bicyclo[2.2.1]heptanyl]hept-5-enoic acid Openeye Name: (E)-7-[7-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[7-[(1Z)-1-[[anilino(sulfanylidene)methyl]hydrazinylidene]ethyl]-3-bicyclo[2.2.1]heptanyl]-5-heptenoic acid IUPAC Name: (E)-7-[7-[(Z)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-3-bicyclo[2.2.1]heptanyl]hept-5-enoic acid Traditional Name: (E)-7-[7-[(Z)-C-methyl-N-(phenylthiocarbamoylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1)C2C3CCC2C(C3)CC=CCCCC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=CC=C1)/C2C3CCC2C(C3)C/C=C/CCCC(=O)O

InChI

InChI=1S/C23H31N3O2S/c1-16(25-26-23(29)24-19-10-6-4-7-11-19)22-18-13-14-20(22)17(15-18)9-5-2-3-8-12-21(27)28/h2,4-7,10-11,17-18,20,22H,3,8-9,12-15H2,1H3,(H,27,28)(H2,24,26,29)/b5-2+,25-16-