N-[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(6-fluorothiochroman-4-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)amino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(6-fluorothiochroman-4-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H26FN4OS+ MolecularWeight: 413.531443

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C=C(C=C2)F

Isomeric SMILES

C\1CSC2=C(/C1=N\NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C=C(C=C2)F

InChI

InChI=1S/C22H25FN4OS/c23-17-6-7-21-19(16-17)20(9-15-29-21)24-25-22(28)8-10-26-11-13-27(14-12-26)18-4-2-1-3-5-18/h1-7,16H,8-15H2,(H,25,28)/p+1/b24-20-